data_2mqw_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 2mqw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD13 HD21 ' A' ' 64' ' ' ASN . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.437 HD21 HD13 ' A' ' 10' ' ' ILE . 53.6 t30 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.483 HD11 HD21 ' A' ' 64' ' ' ASN . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.483 HD21 HD11 ' A' ' 10' ' ' ILE . 48.4 t30 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 55' ' ' THR . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.494 ' HA ' ' CE1' ' A' ' 49' ' ' PHE 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.527 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.441 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.427 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 118.594 -0.717 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 CA-C-O 119.393 -0.671 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 78' ' ' VAL . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.994 -0.337 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 64' ' ' ASN . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 HD21 HD11 ' A' ' 10' ' ' ILE . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.343 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp . . . . . 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.529 -0.174 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -20.5 32.84 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -57.71 139.45 53.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 109.378 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.15 172.13 18.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.8 1.64 . . . . 0.0 109.284 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -49.98 -49.14 51.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 m -65.34 -27.19 68.42 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.53 -0.731 . . . . 0.0 112.846 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -82.03 -34.02 29.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.785 0.834 . . . . 0.0 109.885 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.36 -39.19 82.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.589 0.755 . . . . 0.0 109.121 173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 123.6 148.23 0.0 OUTLIER 'General case' 0 C--O 1.233 0.212 1 C-N-CA 131.92 4.088 . . . . 0.0 110.062 168.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -151.9 159.1 43.93 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.301 1.041 . . . . 0.0 111.624 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -147.56 170.96 16.35 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 128.279 2.631 . . . . 0.0 104.735 168.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.95 115.21 3.87 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.002 -1.061 . . . . 0.0 108.768 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.89 50.89 14.22 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.774 1.178 . . . . 0.0 112.891 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 p -55.7 167.85 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.91 0.884 . . . . 0.0 111.245 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -49.98 -34.51 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.278 1.031 . . . . 0.0 111.332 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -130.3 141.1 50.62 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 168.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -147.37 18.34 1.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.902 1.681 . . . . 0.0 109.95 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.7 24.91 1.18 Allowed Glycine 0 C--N 1.341 0.848 0 C-N-CA 124.739 1.161 . . . . 0.0 112.157 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.28 -39.31 78.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.757 1.779 . . . . 0.0 112.118 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.78 -49.41 63.78 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.21 -44.51 68.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.48 -35.03 71.57 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.552 -0.718 . . . . 0.0 110.83 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.27 21.79 9.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.954 1.302 . . . . 0.0 111.675 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -55.37 141.06 37.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.025 0.93 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.54 -41.79 83.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.289 1.036 . . . . 0.0 112.584 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.24 139.28 11.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.08 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 125.11 1.364 . . . . 0.0 112.278 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.0 tttm 30.13 -106.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.578 2.751 . . . . 0.0 110.87 -172.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.53 173.23 16.93 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 126.28 1.832 . . . . 0.0 107.156 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.36 -15.72 11.67 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -46.21 -32.11 2.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.012 1.725 . . . . 0.0 112.639 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.51 46.7 2.0 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.935 0.894 . . . . 0.0 108.839 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.66 -37.98 19.91 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.932 1.293 . . . . 0.0 112.979 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -64.39 -26.09 68.31 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.318 1.047 . . . . 0.0 113.268 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -150.73 50.63 0.87 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.421 1.105 . . . . 0.0 108.95 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.83 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.09 2.156 . . . . 0.0 115.416 -169.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.74 156.33 35.7 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.815 -1.178 . . . . 0.0 110.633 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -138.13 22.55 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.414 1.085 . . . . 0.0 110.652 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.6 p -55.54 -34.24 64.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.17 1.388 . . . . 0.0 111.507 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.0 174.18 13.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.692 1.997 . . . . 0.0 108.366 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -148.76 -47.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.774 0.83 . . . . 0.0 110.667 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -144.59 164.92 29.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.079 1.752 . . . . 0.0 108.111 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.748 1.619 . . . . 0.0 109.862 -174.484 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.31 -8.18 59.37 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -169.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -54.28 135.24 44.75 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.442 1.019 . . . . 0.0 111.775 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -154.49 166.75 32.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.248 1.819 . . . . 0.0 107.62 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.49 -34.52 78.4 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 p -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.902 0.881 . . . . 0.0 111.91 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -72.22 -44.32 63.11 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 120.841 -1.162 . . . . 0.0 109.269 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.21 -30.77 62.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.629 -1.177 . . . . 0.0 112.868 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -141.89 19.51 2.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.06 43.23 0.79 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.719 -1.238 . . . . 0.0 111.182 169.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.12 -34.37 56.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.417 0.687 . . . . 0.0 112.464 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -152.74 169.21 23.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.594 1.158 . . . . 0.0 108.936 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 71.94 59.91 4.48 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 m -53.81 117.0 2.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.092 1.357 . . . . 0.0 111.089 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.55 169.94 20.32 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 127.912 2.485 . . . . 0.0 106.153 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.41 135.64 50.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -141.2 -6.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -169.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.43 145.9 49.62 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.102 0.865 . . . . 0.0 111.89 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -155.5 139.92 16.78 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 125.759 1.624 . . . . 0.0 106.911 171.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.68 -54.44 2.92 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.333 0.968 . . . . 0.0 110.978 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp -69.1 -20.37 64.07 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.83 -16.55 1.03 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.733 1.613 . . . . 0.0 113.757 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -55.31 -22.16 17.81 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.481 -0.762 . . . . 0.0 112.602 169.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -141.15 -33.32 0.52 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.756 1.223 . . . . 0.0 112.23 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.09 143.79 25.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.762 1.165 . . . . 0.0 110.568 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.6 tp 62.71 -49.92 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.61 2.764 . . . . 0.0 113.517 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.57 -16.83 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.008 0.822 . . . . 0.0 112.066 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -47.72 -29.25 2.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.875 1.67 . . . . 0.0 113.532 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.58 -34.25 25.07 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.73 0.812 . . . . 0.0 112.173 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -151.14 73.49 1.1 Allowed 'General case' 0 C--O 1.232 0.184 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 169.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.22 142.09 38.65 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.08 103.98 0.67 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.1 -37.38 87.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.039 0.935 . . . . 0.0 113.448 -169.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.73 162.9 17.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.749 0.819 . . . . 0.0 111.49 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.98 132.27 46.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.35 1.06 . . . . 0.0 109.998 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.05 159.74 40.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.287 1.035 . . . . 0.0 108.634 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.82 -9.99 2.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.525 1.53 . . . . 0.0 113.395 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -55.04 -26.46 37.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.91 0.884 . . . . 0.0 111.781 169.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.9 m -54.62 124.03 15.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.404 1.082 . . . . 0.0 108.819 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 40.4 tp 62.59 -34.33 0.12 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 128.608 2.763 . . . . 0.0 114.585 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -26.24 68.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.96 1.304 . . . . 0.0 112.456 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.68 59.85 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.169 1.388 . . . . 0.0 109.053 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.249 1.077 0 C-N-CA 124.538 1.135 . . . . 0.0 109.094 177.189 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -128.92 158.19 39.48 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.23 0.612 . . . . 0.0 111.209 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -158.52 147.97 19.31 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.708 2.003 . . . . 0.0 106.03 169.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.04 152.69 30.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD13 HD21 ' A' ' 64' ' ' ASN . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.437 HD21 HD13 ' A' ' 10' ' ' ILE . 53.6 t30 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.41 -34.29 74.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 m -67.61 -34.16 76.44 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.12 -0.988 . . . . 0.0 110.808 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.96 -45.26 78.31 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.324 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -65.33 -42.16 93.2 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 117.414 -1.279 . . . . 0.0 110.628 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 119.0 171.45 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 131.654 3.982 . . . . 0.0 109.941 172.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.61 149.01 47.78 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.276 1.43 . . . . 0.0 107.237 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -80.43 68.79 6.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.826 0.85 . . . . 0.0 109.134 173.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.18 15.88 2.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.335 1.854 . . . . 0.0 113.666 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.77 -13.39 39.32 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.732 1.158 . . . . 0.0 113.233 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 m -54.73 -26.25 32.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.746 1.273 . . . . 0.0 112.094 169.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -59.27 -25.99 64.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.081 0.952 . . . . 0.0 111.946 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -111.57 15.71 21.0 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.741 1.616 . . . . 0.0 110.787 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 t60 69.0 -32.62 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 129.154 2.982 . . . . 0.0 115.626 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.1 -170.82 40.97 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 120.042 1.292 . . . . 0.0 111.731 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.04 139.01 30.36 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.609 1.564 . . . . 0.0 107.607 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.68 -57.01 2.57 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.76 1.171 . . . . 0.0 111.091 -170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.09 -31.69 71.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.4 tp -53.98 -27.24 30.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.675 0.79 . . . . 0.0 112.58 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -82.25 -8.95 59.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.913 0.885 . . . . 0.0 112.395 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.77 119.91 9.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.241 0.928 . . . . 0.0 109.891 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.86 154.79 41.52 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 109.98 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.86 46.29 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.873 1.269 . . . . 0.0 110.744 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -57.43 -25.66 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.601 1.161 . . . . 0.0 111.621 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.32 -39.13 66.73 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.26 -0.9 . . . . 0.0 111.348 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.86 74.5 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.205 0.912 . . . . 0.0 111.617 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -74.82 -34.44 62.36 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.341 0.656 . . . . 0.0 110.355 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.49 -40.68 61.68 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.488 0.715 . . . . 0.0 111.665 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.2 mt -66.61 159.99 26.35 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.202 1.001 . . . . 0.0 111.006 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -26.88 61.56 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.759 0.824 . . . . 0.0 111.533 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -51.94 -20.64 2.45 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.939 1.696 . . . . 0.0 113.578 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.03 -23.32 5.03 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.333 1.453 . . . . 0.0 113.233 170.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -11.22 4.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.613 1.165 . . . . 0.0 113.817 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.53 -21.46 62.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.412 1.085 . . . . 0.0 111.997 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -58.05 164.79 2.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.081 0.952 . . . . 0.0 112.635 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.0 m -134.25 145.81 49.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.54 15.44 5.45 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.157 0.983 . . . . 0.0 111.531 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -149.46 154.09 38.29 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.947 1.299 . . . . 0.0 108.366 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -68.58 -21.12 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.9 tptt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 119.424 1.011 . . . . 0.0 109.494 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.29 3.17 11.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.294 1.437 . . . . 0.0 113.372 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -53.41 138.27 33.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.257 0.935 . . . . 0.0 111.024 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -151.86 158.57 43.41 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.841 1.657 . . . . 0.0 106.806 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -53.79 -32.23 51.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 m -63.69 -25.79 68.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.089 -1.007 . . . . 0.0 111.978 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -89.15 -47.27 8.19 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.777 0.831 . . . . 0.0 109.934 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -63.9 -27.41 69.13 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.021 0.828 . . . . 0.0 112.807 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.47 -15.86 63.69 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.1 147.85 42.48 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.869 1.213 . . . . 0.0 110.456 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -69.95 -34.22 73.14 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.618 0.367 . . . . 0.0 111.548 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -149.29 152.47 35.95 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.879 1.271 . . . . 0.0 108.839 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.15 -18.54 35.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.351 0.976 . . . . 0.0 111.843 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.55 151.51 32.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.165 1.786 . . . . 0.0 109.317 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -125.09 -4.38 7.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.1 0.96 . . . . 0.0 111.485 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -153.35 164.46 38.1 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.214 2.605 . . . . 0.0 104.913 170.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -127.05 -8.15 5.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.066 1.346 . . . . 0.0 111.321 171.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.33 -31.3 0.95 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.877 1.227 . . . . 0.0 110.584 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.27 -32.78 66.95 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.368 1.067 . . . . 0.0 112.866 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.54 42.09 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 176.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.12 -52.5 18.99 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.07 -49.54 28.01 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.744 0.418 . . . . 0.0 110.945 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp 32.67 53.67 0.35 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.288 2.235 . . . . 0.0 112.6 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.06 -24.67 64.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -169.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -55.29 -33.81 63.58 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.848 0.859 . . . . 0.0 112.553 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.5 tp -156.58 88.3 1.06 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.52 145.73 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.008 0.923 . . . . 0.0 109.822 -174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -72.8 61.68 0.55 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.357 1.463 . . . . 0.0 109.849 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.61 65.89 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 111.417 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.91 -20.83 66.65 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.307 . . . . 0.0 111.325 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -146.61 161.37 40.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.997 2.119 . . . . 0.0 107.064 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 76.1 mt -129.89 -7.03 4.48 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.998 1.319 . . . . 0.0 112.043 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.79 -40.11 94.05 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.593 1.542 . . . . 0.0 109.962 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.47 -31.53 72.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.386 0.674 . . . . 0.0 111.973 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.27 -46.8 19.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.19 0.596 . . . . 0.0 111.127 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.4 tt -158.78 -62.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.649 1.179 . . . . 0.0 108.875 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.55 158.06 17.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.746 1.619 . . . . 0.0 107.579 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.32 162.22 8.06 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.944 -0.473 . . . . 0.0 109.979 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -135.39 162.06 33.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.644 1.178 . . . . 0.0 109.286 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 59.5 tp -151.8 150.35 30.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.361 1.464 . . . . 0.0 107.535 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.31 158.64 44.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 107.772 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -56.54 -32.9 65.58 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.005 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.249 1.038 0 C-N-CA 126.528 1.931 . . . . 0.0 109.981 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 -11.55 59.82 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -173.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.32 142.02 44.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.496 1.044 . . . . 0.0 110.286 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -149.25 161.18 42.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.525 1.53 . . . . 0.0 108.03 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.483 HD11 HD21 ' A' ' 64' ' ' ASN . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.483 HD21 HD11 ' A' ' 10' ' ' ILE . 48.4 t30 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 15.2 t70 -65.52 -39.69 92.1 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 p -67.65 -7.35 26.0 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.614 1.566 . . . . 0.0 112.622 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -100.19 -32.3 10.96 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.379 1.071 . . . . 0.0 109.16 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 110' ' ' ASP . 53.5 mtmt -61.08 -56.14 24.34 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.854 0.752 . . . . 0.0 110.147 169.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -81.68 33.94 0.38 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -69.04 -5.41 21.72 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.102 -0.999 . . . . 0.0 113.517 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -66.5 83.21 0.1 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.342 0.974 . . . . 0.0 108.895 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.8 t30 43.03 59.61 2.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.917 2.087 . . . . 0.0 112.368 -169.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.25 166.3 34.63 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -161.26 15.57 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.9 150.11 45.59 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.59 1.156 . . . . 0.0 108.306 -171.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.27 137.24 54.56 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.963 0.905 . . . . 0.0 110.492 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -131.24 -27.2 2.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.711 1.604 . . . . 0.0 110.183 169.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.96 16.46 30.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 124.461 1.029 . . . . 0.0 113.344 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.86 131.34 49.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.942 1.371 . . . . 0.0 110.808 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 82.11 -35.67 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.285 0.945 . . . . 0.0 112.171 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.1 -44.6 97.11 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.18 -2.77 8.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.902 1.281 . . . . 0.0 113.149 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.96 -35.59 80.66 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 121.012 -1.055 . . . . 0.0 108.61 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 146.95 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -160.69 164.98 31.29 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.76 -3.24 6.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.71 1.204 . . . . 0.0 113.844 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.3 10.2 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.365 1.466 . . . . 0.0 111.127 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -126.91 -19.0 4.53 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.665 1.586 . . . . 0.0 110.797 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -137.87 158.69 43.82 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.578 2.351 . . . . 0.0 106.389 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.84 -22.21 62.34 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.56 -0.713 . . . . 0.0 111.894 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -154.92 170.32 21.97 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.773 2.029 . . . . 0.0 106.864 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.04 120.06 5.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.461 1.104 . . . . 0.0 109.293 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.9 mt 53.26 27.26 5.9 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.017 2.127 . . . . 0.0 113.888 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.26 -26.04 68.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.41 -0.806 . . . . 0.0 110.739 169.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.41 152.25 38.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.317 1.847 . . . . 0.0 107.32 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.4 148.6 24.75 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -71.34 13.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.868 1.267 . . . . 0.0 112.762 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -86.47 32.65 0.64 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 119.774 -1.829 . . . . 0.0 109.923 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.7 p -60.81 -20.27 61.27 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.742 -1.224 . . . . 0.0 113.125 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -28.19 64.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.289 1.036 . . . . 0.0 111.832 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -115.33 -40.77 3.38 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.717 1.207 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -78.47 67.93 4.36 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.711 1.205 . . . . 0.0 109.453 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -69.11 177.7 2.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.284 0.634 . . . . 0.0 111.235 171.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -132.03 152.4 51.19 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.164 1.386 . . . . 0.0 108.713 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.15 -35.1 28.79 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.64 -44.44 86.39 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 p -68.58 -4.54 15.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 113.108 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -101.95 -44.92 5.35 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 119.284 0.947 . . . . 0.0 109.641 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -79.85 -32.99 40.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.087 0.858 . . . . 0.0 113.107 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -144.0 63.66 1.33 Allowed 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.215 1.006 . . . . 0.0 110.695 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -74.49 46.18 0.26 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.954 -1.091 . . . . 0.0 112.61 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -123.41 -12.92 7.71 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.745 2.418 . . . . 0.0 108.857 168.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -131.17 -31.82 1.64 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.095 1.758 . . . . 0.0 109.961 169.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.9 6.21 20.78 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.663 1.125 . . . . 0.0 113.347 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 m -61.89 -17.76 57.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.921 1.689 . . . . 0.0 113.077 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.76 169.9 16.96 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.018 1.727 . . . . 0.0 108.156 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -42.1 73.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.802 0.841 . . . . 0.0 111.73 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.99 54.44 1.9 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.55 1.94 . . . . 0.0 111.358 -169.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.86 159.88 38.79 Favored Glycine 0 CA--C 1.532 1.138 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 170.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.15 140.07 58.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.683 0.793 . . . . 0.0 110.566 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.82 -53.32 4.04 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 125.045 1.307 . . . . 0.0 111.161 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.68 -34.5 74.43 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.09 -39.5 82.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.989 0.813 . . . . 0.0 111.232 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.11 -42.84 99.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.44 1.018 . . . . 0.0 110.427 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -67.04 -38.97 86.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.498 0.319 . . . . 0.0 111.278 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.82 -30.79 67.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.025 0.93 . . . . 0.0 112.275 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.96 68.71 2.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.502 1.521 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.16 172.33 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.284 1.833 . . . . 0.0 108.687 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.44 52.59 0.97 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.746 1.219 . . . . 0.0 110.936 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.49 166.55 5.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.939 0.896 . . . . 0.0 110.65 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -147.07 154.38 41.1 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.12 -44.6 96.29 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.471 0.578 . . . . 0.0 110.457 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 36.7 tp -83.72 61.58 6.4 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.297 1.039 . . . . 0.0 108.505 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -6.28 32.17 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.969 0.908 . . . . 0.0 112.217 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.28 -18.18 9.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.178 1.391 . . . . 0.0 113.33 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.63 -22.83 62.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.828 0.851 . . . . 0.0 112.997 171.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 61.2 tp -135.02 -32.12 0.97 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.602 1.161 . . . . 0.0 112.126 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.28 -14.55 11.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.977 1.311 . . . . 0.0 113.501 -172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -55.25 -18.08 5.59 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.154 0.982 . . . . 0.0 112.701 172.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 17.0 p -52.23 -35.44 49.65 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.857 1.208 . . . . 0.0 111.647 169.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.68 -37.02 85.77 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.498 0.719 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.5 -36.23 52.77 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.121 0.568 . . . . 0.0 111.036 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -65.09 -38.69 91.54 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.682 0.793 . . . . 0.0 111.455 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--O 1.249 1.055 0 C-N-CA 124.487 1.115 . . . . 0.0 109.76 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.16 -0.08 10.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.844 0.858 . . . . 0.0 113.045 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.94 149.09 37.57 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.474 0.579 . . . . 0.0 109.625 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -153.68 158.9 41.74 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.71 1.604 . . . . 0.0 108.537 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 55' ' ' THR . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.494 ' HA ' ' CE1' ' A' ' 49' ' ' PHE 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.527 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.441 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.01 -39.67 90.44 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.9 m -63.4 -27.78 69.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.713 0.805 . . . . 0.0 112.183 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -73.02 -36.69 67.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.801 0.841 . . . . 0.0 111.715 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -119.56 -11.55 9.44 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -142.4 35.7 1.49 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.746 1.218 . . . . 0.0 109.38 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.14 -36.87 78.49 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.91 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.2 t30 31.29 -83.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 129.035 2.934 . . . . 0.0 114.187 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.88 55.45 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.625 1.102 . . . . 0.0 109.864 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.11 64.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.1 m -87.79 18.48 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.942 1.697 . . . . 0.0 112.729 -169.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -59.88 168.09 1.94 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.69 -0.631 . . . . 0.0 110.535 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.66 33.82 23.36 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.841 1.256 . . . . 0.0 111.712 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -134.0 -2.68 2.88 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.078 0.951 . . . . 0.0 112.477 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.49 131.11 34.77 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.36 -35.25 75.25 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.548 0.674 . . . . 0.0 112.062 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.09 -46.45 93.31 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.427 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp -69.88 -17.59 63.36 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 51.0 29.89 4.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.812 1.645 . . . . 0.0 111.568 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 44.7 28.07 0.31 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.024 1.73 . . . . 0.0 113.24 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.99 -33.95 76.89 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.696 0.798 . . . . 0.0 112.053 -173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -143.16 69.3 1.3 Allowed 'General case' 0 C--O 1.231 0.082 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.67 73.55 0.25 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.847 1.659 . . . . 0.0 112.24 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.63 158.07 6.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 123.79 0.836 . . . . 0.0 109.008 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.3 151.1 40.11 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -157.05 170.85 21.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.102 1.361 . . . . 0.0 108.975 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -150.39 169.45 21.4 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.251 1.42 . . . . 0.0 108.462 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.63 -33.97 74.87 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.578 0.751 . . . . 0.0 112.908 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -148.57 129.66 14.49 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.09 159.6 43.62 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 126.067 1.747 . . . . 0.0 107.716 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.27 -28.14 69.5 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.387 0.675 . . . . 0.0 112.624 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.21 -16.08 63.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.161 0.984 . . . . 0.0 113.002 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.32 124.0 19.73 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 109.972 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -155.46 161.75 40.89 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.834 1.653 . . . . 0.0 107.601 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -141.15 30.07 1.8 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.285 1.034 . . . . 0.0 111.259 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 33.9 p -65.71 156.6 32.5 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.975 -1.078 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.9 tp -114.16 17.83 17.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.639 1.176 . . . . 0.0 110.29 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -66.02 -12.06 52.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.663 1.185 . . . . 0.0 112.325 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.63 169.76 17.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.871 2.068 . . . . 0.0 108.777 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp . . . . . 0 C--O 1.25 1.126 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.01 -0.432 . . . . 0.0 111.011 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.54 122.43 14.65 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -154.87 178.7 9.86 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 126.477 1.911 . . . . 0.0 107.978 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.35 -62.0 1.91 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 p -67.4 -27.13 66.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.132 1.373 . . . . 0.0 112.383 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.63 -43.91 71.72 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.69 -26.51 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -68.59 -23.57 64.48 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.458 1.935 . . . . 0.0 111.116 -169.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.14 -19.97 23.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.333 172.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -53.93 -36.99 63.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.841 1.201 . . . . 0.0 111.175 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -89.3 -48.88 7.06 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.62 -43.44 21.68 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 126.105 1.812 . . . . 0.0 114.886 -171.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m -70.24 -6.95 38.32 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.087 0.944 . . . . 0.0 113.486 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -124.75 -28.49 3.52 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.798 1.239 . . . . 0.0 111.101 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -155.56 137.35 14.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.548 1.539 . . . . 0.0 108.162 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.51 23.6 2.3 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.625 1.17 . . . . 0.0 110.391 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -97.51 19.5 54.45 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.882 1.229 . . . . 0.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -155.12 178.87 9.72 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.571 1.548 . . . . 0.0 108.969 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.08 -125.31 9.57 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.2 -34.27 76.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.26 -20.83 60.64 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.855 0.862 . . . . 0.0 112.384 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -72.65 -37.58 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.491 1.042 . . . . 0.0 110.662 173.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -73.08 -32.0 64.73 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.87 0.468 . . . . 0.0 110.8 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.9 t70 52.96 25.3 3.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.002 1.721 . . . . 0.0 113.435 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt 53.09 27.88 6.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.089 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.51 131.67 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.128 0.876 . . . . 0.0 110.103 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.42 -33.9 70.19 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.829 -0.544 . . . . 0.0 111.802 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.23 -8.56 5.9 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.387 1.075 . . . . 0.0 113.83 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -63.41 -12.96 34.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.676 1.126 . . . . 0.0 112.585 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 155.1 49.22 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.298 1.439 . . . . 0.0 108.133 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.44 -14.38 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.102 1.361 . . . . 0.0 113.603 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.07 -17.92 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.381 1.072 . . . . 0.0 113.83 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -143.26 144.8 32.28 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.507 1.049 . . . . 0.0 109.069 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -156.35 146.58 21.41 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.897 1.279 . . . . 0.0 108.66 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 43.5 tp -153.55 156.41 38.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.525 1.53 . . . . 0.0 107.668 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -62.2 166.67 4.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.776 0.83 . . . . 0.0 110.821 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -60.6 -19.36 57.56 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 12.9 t -151.65 172.23 16.4 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.691 1.196 . . . . 0.0 107.912 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.3 tp -130.01 5.66 4.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.7 1.6 . . . . 0.0 109.626 169.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.28 -32.92 74.46 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.467 -0.771 . . . . 0.0 111.331 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -77.69 61.87 2.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.519 1.128 . . . . 0.0 108.695 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.251 1.148 0 C-N-CA 124.551 1.14 . . . . 0.0 109.069 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -138.25 166.44 24.18 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.362 1.465 . . . . 0.0 108.119 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -80.17 47.47 0.91 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.992 0.901 . . . . 0.0 111.068 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -65.75 -9.86 31.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.427 -0.796 . . . . 0.0 112.655 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.28 -35.91 68.0 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 m -73.62 -19.24 60.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.633 -0.667 . . . . 0.0 111.925 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -87.35 -35.17 18.53 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.436 1.094 . . . . 0.0 109.013 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -29.64 70.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.253 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 69.47 173.74 0.3 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.814 2.046 . . . . 0.0 111.266 173.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -126.88 11.16 7.13 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.669 0.788 . . . . 0.0 112.8 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -56.58 123.77 15.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.959 0.799 . . . . 0.0 108.879 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.0 t30 46.65 39.37 6.91 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.24 1.416 . . . . 0.0 112.104 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.61 -22.11 0.13 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 118.42 -1.211 . . . . 0.0 113.313 -170.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -50.15 -31.49 13.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.994 1.897 . . . . 0.0 113.005 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -55.11 -22.65 17.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.387 1.475 . . . . 0.0 114.295 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -140.89 4.02 1.86 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.417 1.087 . . . . 0.0 112.162 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -55.93 133.17 51.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.465 0.65 . . . . 0.0 111.412 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.46 0.12 82.68 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 118.069 -1.406 . . . . 0.0 114.082 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.46 -36.05 68.62 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.623 2.212 . . . . 0.0 112.426 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.06 67.5 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.957 0.789 . . . . 0.0 112.879 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp -65.83 -49.93 66.41 Favored 'General case' 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.33 -41.12 92.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.263 0.625 . . . . 0.0 110.184 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -92.08 10.98 26.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.847 0.859 . . . . 0.0 111.817 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -61.0 149.22 37.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.77 0.714 . . . . 0.0 110.36 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.45 -25.17 66.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -138.31 165.89 25.59 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.094 0.958 . . . . 0.0 111.705 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.96 159.73 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 126.376 1.87 . . . . 0.0 106.103 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -54.8 -24.8 24.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.49 -18.22 27.3 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -58.72 -33.48 70.27 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.292 0.951 . . . . 0.0 111.396 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.86 133.46 50.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.881 0.764 . . . . 0.0 110.775 -175.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.7 tp 43.29 53.6 5.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.686 1.994 . . . . 0.0 112.707 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.7 tp -147.04 158.72 44.02 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.161 1.385 . . . . 0.0 107.418 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.54 -24.3 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.227 0.611 . . . . 0.0 112.267 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.18 -11.51 57.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.51 1.524 . . . . 0.0 113.442 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.1 tp -52.2 142.5 16.47 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.863 1.265 . . . . 0.0 111.356 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -143.59 150.84 39.4 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.63 -32.15 70.17 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.154 0.434 . . . . 0.0 111.273 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.4 m 50.01 44.9 25.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 111.091 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.16 -28.9 68.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.63 0.772 . . . . 0.0 110.603 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.8 160.37 40.87 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.555 1.942 . . . . 0.0 105.983 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.4 -26.01 59.82 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.753 -0.592 . . . . 0.0 110.684 172.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.249 1.033 0 C-N-CA 124.187 0.995 . . . . 0.0 109.341 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -68.61 151.87 46.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.404 0.682 . . . . 0.0 109.794 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -80.77 34.13 0.33 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.329 1.452 . . . . 0.0 109.395 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -61.7 -18.46 59.75 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.451 1.501 . . . . 0.0 114.986 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.39 -23.82 58.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.0 p -55.21 -54.99 36.44 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.982 0.913 . . . . 0.0 110.015 169.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -67.14 -37.56 84.03 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 123.559 0.744 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.88 -39.76 95.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 118.119 -0.944 . . . . 0.0 111.518 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.83 -37.83 0.11 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -172.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -74.62 -19.32 60.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.187 1.812 . . . . 0.0 112.878 -169.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -53.66 -45.18 70.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.665 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -166.85 117.21 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.595 1.158 . . . . 0.0 108.192 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 144.05 -46.5 0.82 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m 64.42 -19.63 0.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.96 2.504 . . . . 0.0 116.43 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -149.39 153.4 37.32 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.933 1.693 . . . . 0.0 107.395 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -155.93 156.82 35.23 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.726 1.61 . . . . 0.0 107.703 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -128.89 20.13 5.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 111.623 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.97 19.79 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.608 1.099 . . . . 0.0 111.099 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -140.92 159.01 43.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.649 1.18 . . . . 0.0 109.369 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 -104.64 0.24 Allowed Glycine 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 -172.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -32.57 73.52 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 31.6 tp 66.69 -44.61 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.734 2.814 . . . . 0.0 115.863 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -140.68 10.52 2.24 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.325 0.966 . . . . 0.0 111.887 -171.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -63.39 140.47 58.88 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.363 -0.835 . . . . 0.0 109.14 171.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -158.83 168.09 27.73 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.789 1.635 . . . . 0.0 107.099 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.69 -37.92 63.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.575 0.75 . . . . 0.0 112.012 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.54 -38.43 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 118.765 0.711 . . . . 0.0 111.39 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.66 -43.57 75.91 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.24 -0.24 1.67 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 113.486 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -132.9 19.66 4.15 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.595 1.558 . . . . 0.0 110.093 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.84 -33.47 74.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.731 -0.606 . . . . 0.0 110.808 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 141.6 57.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 109.326 171.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -144.09 168.0 21.04 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.11 1.364 . . . . 0.0 109.179 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -50.21 -42.23 51.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.434 1.494 . . . . 0.0 112.817 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.78 -20.13 60.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.925 1.29 . . . . 0.0 113.611 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.4 9.97 10.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.444 1.498 . . . . 0.0 110.63 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -113.35 -34.27 5.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.612 1.165 . . . . 0.0 109.987 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -57.45 -26.15 60.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.092 0.86 . . . . 0.0 112.774 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -58.47 -22.51 54.98 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.554 1.142 . . . . 0.0 112.523 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.75 -15.09 61.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.203 1.001 . . . . 0.0 112.04 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.22 -159.48 0.97 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.716 1.206 . . . . 0.0 109.901 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -66.44 146.24 54.78 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.221 1.408 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.247 0.969 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.702 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.81 159.99 41.17 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.249 1.42 . . . . 0.0 107.975 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -160.23 150.73 18.56 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.97 0.908 . . . . 0.0 109.196 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.74 -42.25 24.95 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.565 1.546 . . . . 0.0 113.68 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 78' ' ' VAL . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.67 -40.47 69.11 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -70.15 -1.08 9.06 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -118.53 -45.32 2.62 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 124.579 1.152 . . . . 0.0 110.027 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -76.01 -20.32 57.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -137.65 -164.81 1.67 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.995 2.118 . . . . 0.0 107.229 171.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 55.54 30.18 14.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.443 1.497 . . . . 0.0 112.112 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.7 -25.0 64.42 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.665 -0.647 . . . . 0.0 110.984 171.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 119' ' ' SER . 27.4 t30 -129.39 166.15 20.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.764 2.425 . . . . 0.0 106.17 169.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.92 16.73 0.21 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.721 1.153 . . . . 0.0 114.625 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 117' ' ' ASN . 15.6 m -51.53 131.53 29.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.081 2.153 . . . . 0.0 109.983 170.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -66.59 175.88 2.15 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.109 0.564 . . . . 0.0 111.175 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.57 142.26 57.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 109.495 169.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -145.44 24.32 1.41 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.786 1.235 . . . . 0.0 110.181 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.46 -156.8 7.25 Favored Glycine 0 CA--C 1.525 0.688 0 O-C-N 121.251 -0.905 . . . . 0.0 111.792 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -144.62 158.34 43.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.417 1.487 . . . . 0.0 108.318 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.16 -97.78 0.17 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 -172.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.24 -31.7 70.44 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.8 tp -51.13 -29.29 13.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.645 1.178 . . . . 0.0 112.789 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -81.87 -5.37 58.19 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.134 0.973 . . . . 0.0 112.331 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.45 146.01 36.68 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.326 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -80.03 57.58 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.139 1.376 . . . . 0.0 110.324 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.7 tp -51.26 -24.71 4.72 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 127.337 2.255 . . . . 0.0 114.901 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.31 -25.55 20.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.443 1.02 . . . . 0.0 112.458 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -66.52 -2.87 5.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.269 0.941 . . . . 0.0 113.44 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -132.63 19.61 4.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.253 1.421 . . . . 0.0 111.128 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -123.91 136.74 54.53 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.68 -28.05 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.908 2.483 . . . . 0.0 115.155 -172.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.8 tp -147.76 153.62 39.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.74 2.016 . . . . 0.0 107.63 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 51.1 tp -151.72 149.67 29.33 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.864 2.066 . . . . 0.0 105.544 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.01 152.81 46.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.664 0.785 . . . . 0.0 109.259 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.63 -23.42 51.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.829 1.252 . . . . 0.0 113.183 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.51 -21.66 60.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.37 1.068 . . . . 0.0 112.415 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 69.1 -40.01 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 128.364 2.665 . . . . 0.0 111.865 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -78.52 59.07 2.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.197 1.399 . . . . 0.0 108.256 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -51.57 147.22 6.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.987 1.315 . . . . 0.0 110.827 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.27 173.31 13.15 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 127.259 2.223 . . . . 0.0 107.242 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.51 106.42 0.39 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.247 0.619 . . . . 0.0 109.979 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -157.03 151.74 25.66 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.681 1.593 . . . . 0.0 107.462 -171.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.247 0.965 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 176.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.969 -0.012 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -140.25 127.98 21.77 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.851 0.861 . . . . 0.0 109.382 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -155.76 135.74 12.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -150.8 160.24 44.0 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 170.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.73 -47.36 82.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -72.62 -0.23 12.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.963 1.305 . . . . 0.0 113.053 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -110.67 -39.84 4.75 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 109.993 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -142.44 3.51 1.51 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -130.51 34.84 4.1 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.881 1.219 . . . . 0.0 109.045 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.82 -7.27 55.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.879 1.672 . . . . 0.0 113.91 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.97 -60.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.631 2.372 . . . . 0.0 111.072 -168.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.61 121.46 11.64 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.2 -45.96 2.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.531 1.062 . . . . 0.0 112.43 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -64.53 -23.62 67.33 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.092 0.946 . . . . 0.0 113.306 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 48.4 53.36 12.09 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.132 1.373 . . . . 0.0 110.543 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.74 168.45 23.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.95 2.1 . . . . 0.0 107.647 -170.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -130.37 27.17 5.07 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.068 1.347 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.34 71.73 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.962 0.792 . . . . 0.0 111.161 -172.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.37 -33.72 74.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.923 1.362 . . . . 0.0 111.089 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.95 -6.94 33.92 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.75 -29.57 66.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.39 134.37 50.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.286 1.034 . . . . 0.0 111.802 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -65.59 159.37 24.84 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 169.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -50.92 -38.05 47.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.812 0.845 . . . . 0.0 113.137 -175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -148.21 74.55 1.3 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.93 118.3 7.06 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.06 159.62 13.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 126.828 2.051 . . . . 0.0 105.881 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.23 -31.32 63.41 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.779 -0.576 . . . . 0.0 112.233 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.29 -19.43 65.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -65.02 149.82 49.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.01 1.277 . . . . 0.0 110.328 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.16 169.29 24.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.415 1.886 . . . . 0.0 107.33 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.54 -42.6 67.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 110.863 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.0 tp -105.96 98.2 7.92 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.12 164.26 39.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.965 1.306 . . . . 0.0 109.17 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -51.95 -19.63 1.91 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.768 2.027 . . . . 0.0 114.537 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.71 -12.67 7.49 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.99 0.813 . . . . 0.0 112.808 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.56 147.96 45.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.935 1.294 . . . . 0.0 108.089 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -64.44 167.7 6.66 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.153 0.581 . . . . 0.0 110.188 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.5 p -73.3 40.24 0.1 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.074 1.75 . . . . 0.0 111.75 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.19 107.04 1.82 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.231 1.412 . . . . 0.0 108.848 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.51 151.86 45.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.225 1.01 . . . . 0.0 110.122 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -141.91 157.49 44.91 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.426 1.09 . . . . 0.0 109.484 -171.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.604 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 119.135 -0.459 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -82.64 -35.02 27.32 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.714 0.688 . . . . 0.0 109.886 171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -62.78 138.26 58.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -151.48 176.42 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.062 1.745 . . . . 0.0 107.076 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.24 -65.63 0.53 Allowed 'General case' 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.22 -24.68 51.23 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.72 0.408 . . . . 0.0 111.589 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -66.97 -44.04 81.51 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.206 0.602 . . . . 0.0 111.144 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -148.08 -20.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -79.69 -176.07 5.17 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.426 1.466 . . . . 0.0 109.845 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 65.19 20.85 12.03 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.356 1.462 . . . . 0.0 112.897 170.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -76.56 70.43 3.09 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.52 1.128 . . . . 0.0 109.774 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.0 t30 45.55 51.5 9.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.373 1.869 . . . . 0.0 112.282 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.34 33.39 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.157 0.884 . . . . 0.0 111.958 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.0 m -144.93 33.02 1.12 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.728 1.211 . . . . 0.0 111.473 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -56.74 -26.96 58.42 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.239 0.615 . . . . 0.0 112.162 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -121.97 -39.17 2.63 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.111 0.965 . . . . 0.0 110.909 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -61.73 -16.49 49.74 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.52 -28.85 68.24 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.335 0.97 . . . . 0.0 111.978 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.94 -14.33 61.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.543 0.737 . . . . 0.0 112.214 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -48.65 -64.67 3.04 Favored Glycine 0 C--N 1.342 0.865 0 C-N-CA 125.331 1.443 . . . . 0.0 113.466 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -42.86 99.88 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.6 tp -69.11 -35.9 76.93 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.641 0.777 . . . . 0.0 111.919 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -143.72 111.25 5.93 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.597 0.759 . . . . 0.0 109.762 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -149.51 165.77 31.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.278 1.831 . . . . 0.0 107.204 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.68 156.18 17.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.375 0.67 . . . . 0.0 110.324 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.54 115.29 3.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.405 1.082 . . . . 0.0 109.815 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.65 161.09 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.947 0.899 . . . . 0.0 110.745 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -148.36 159.18 44.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.867 1.267 . . . . 0.0 108.305 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -134.61 -179.2 5.45 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.898 1.679 . . . . 0.0 108.884 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -146.99 140.36 25.49 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.95 -37.35 87.36 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.809 0.443 . . . . 0.0 111.3 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.25 78.46 3.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.87 155.51 19.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 109.26 173.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.91 -26.65 48.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.565 1.146 . . . . 0.0 113.328 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.86 148.23 31.63 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.02 1.328 . . . . 0.0 107.863 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.04 31.49 2.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.027 1.331 . . . . 0.0 110.19 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -130.38 -40.2 1.28 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.996 0.918 . . . . 0.0 110.308 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -60.15 -22.89 63.43 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.329 -0.857 . . . . 0.0 111.05 170.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -66.33 -13.66 60.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 0.0 113.12 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.02 -179.57 6.45 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.582 1.153 . . . . 0.0 110.97 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.1 t70 64.09 -25.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.706 2.802 . . . . 0.0 115.546 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.65 162.13 35.84 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.409 1.883 . . . . 0.0 108.407 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.25 1.096 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.222 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -73.41 160.43 31.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.885 -0.51 . . . . 0.0 109.804 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 45.11 37.63 2.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.293 1.837 . . . . 0.0 113.149 -173.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -70.1 178.79 2.6 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.206 1.403 . . . . 0.0 110.909 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 64' ' ' ASN . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 HD21 HD11 ' A' ' 10' ' ' ILE . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -58.49 -40.82 83.84 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.4 m -69.23 -10.22 56.76 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.778 1.231 . . . . 0.0 114.007 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -101.48 -39.29 7.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.431 1.014 . . . . 0.0 110.116 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.86 -39.91 93.54 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.788 0.835 . . . . 0.0 110.675 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -159.49 -156.53 0.52 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.181 2.192 . . . . 0.0 107.077 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 36.86 61.09 0.91 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.712 2.005 . . . . 0.0 113.063 169.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -54.26 -30.0 48.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.361 0.665 . . . . 0.0 112.406 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -145.87 164.61 31.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.059 1.344 . . . . 0.0 108.271 169.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.83 20.77 57.36 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 123.944 0.783 . . . . 0.0 112.288 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.6 -15.15 25.08 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.614 1.566 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.19 -13.77 5.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.269 1.028 . . . . 0.0 112.383 170.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.52 -29.61 62.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.187 0.903 . . . . 0.0 112.713 169.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 32.89 73.72 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.076 2.55 . . . . 0.0 113.921 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.19 179.42 5.67 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.907 1.241 . . . . 0.0 114.845 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -46.86 130.89 12.05 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.64 1.576 . . . . 0.0 112.163 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.22 -86.74 0.44 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 -169.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp -61.15 -41.31 96.52 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.82 -39.08 93.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.284 0.947 . . . . 0.0 111.432 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -68.91 -27.9 66.19 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.914 0.779 . . . . 0.0 112.548 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -141.08 74.5 1.46 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.755 1.222 . . . . 0.0 108.695 -171.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -62.91 152.48 36.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.302 -170.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -137.39 -40.16 0.58 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.969 1.308 . . . . 0.0 109.408 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.33 -20.08 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -171.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -125.46 -24.43 3.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.943 1.247 . . . . 0.0 111.756 169.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.67 -33.02 65.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.6 1.091 . . . . 0.0 111.421 171.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -57.21 -30.45 64.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -73.27 -42.79 62.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 118.981 0.809 . . . . 0.0 110.077 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.57 -40.7 97.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.73 0.412 . . . . 0.0 110.289 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.76 -15.87 44.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.84 1.256 . . . . 0.0 112.831 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -61.25 -26.39 67.72 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.361 0.982 . . . . 0.0 111.716 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -96.37 105.65 17.76 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -151.52 167.79 26.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.836 1.254 . . . . 0.0 109.729 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -11.03 58.95 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -172.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.74 43.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.17 1.388 . . . . 0.0 111.296 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.3 p -65.84 176.3 1.65 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.155 0.982 . . . . 0.0 109.004 169.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.33 -34.39 57.28 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.485 -0.76 . . . . 0.0 111.736 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.63 -21.35 60.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.46 1.104 . . . . 0.0 113.297 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -129.4 24.06 5.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.179 1.392 . . . . 0.0 110.82 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.25 1.119 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 171.069 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -66.48 -33.34 75.48 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.779 -0.576 . . . . 0.0 112.109 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -50.16 127.32 16.64 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.706 1.202 . . . . 0.0 110.318 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 56.75 -52.18 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.216 2.606 . . . . 0.0 115.196 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.53 -39.53 88.19 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 m -65.61 -43.49 89.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.084 0.554 . . . . 0.0 111.498 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -65.38 -43.74 89.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.843 0.747 . . . . 0.0 110.503 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -68.21 -31.55 71.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.367 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.48 -93.71 0.11 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.985 1.266 . . . . 0.0 112.316 177.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 39.3 51.98 2.15 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.224 1.81 . . . . 0.0 114.04 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -79.14 61.51 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 108.709 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 t30 37.41 62.49 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.272 2.629 . . . . 0.0 114.175 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 154.97 -31.22 0.66 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.534 1.064 . . . . 0.0 111.079 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m -58.31 144.2 42.19 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 112.548 -178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -149.79 142.4 24.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -153.42 -40.55 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.134 0.879 . . . . 0.0 112.293 171.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -86.69 40.76 0.91 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.042 0.937 . . . . 0.0 109.095 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.09 -10.11 10.08 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.192 1.377 . . . . 0.0 113.204 -172.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.26 -36.36 75.36 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.165 0.982 . . . . 0.0 113.134 -169.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.67 -38.99 7.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.67 -38.47 86.87 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.44 -37.66 84.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.474 0.579 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -77.84 -14.99 59.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.564 -0.732 . . . . 0.0 112.853 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.55 159.86 23.66 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.531 1.06 . . . . 0.0 110.619 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.45 -25.02 64.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.533 1.133 . . . . 0.0 112.797 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.39 123.7 18.08 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.406 1.482 . . . . 0.0 107.164 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.37 7.02 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 112.824 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 47.4 tttp 42.61 57.69 3.4 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.826 2.051 . . . . 0.0 112.271 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.38 65.02 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.706 1.602 . . . . 0.0 110.823 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.84 -5.3 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.737 1.615 . . . . 0.0 114.512 -172.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.92 -23.27 67.17 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.094 0.558 . . . . 0.0 110.472 169.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.02 175.88 5.25 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.462 1.905 . . . . 0.0 108.214 171.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.41 134.73 50.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.94 -26.51 62.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.073 -171.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -136.34 49.6 2.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 109.137 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 57.2 tp -51.6 119.78 4.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.585 1.154 . . . . 0.0 110.417 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.09 158.6 33.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.566 0.746 . . . . 0.0 110.392 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -150.07 158.09 43.8 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.268 1.427 . . . . 0.0 107.461 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.5 p -58.57 -41.14 85.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.562 1.145 . . . . 0.0 111.249 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 66.1 tp -153.54 140.31 19.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.711 1.604 . . . . 0.0 107.002 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.45 164.83 36.77 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.848 1.259 . . . . 0.0 107.779 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.77 8.73 3.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.637 1.175 . . . . 0.0 113.091 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.042 1.737 . . . . 0.0 107.618 -179.306 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -124.02 138.88 54.39 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.685 0.675 . . . . 0.0 111.465 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -159.59 148.35 17.78 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.064 1.746 . . . . 0.0 107.382 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.79 154.86 33.45 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 170.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.49 -48.49 79.1 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -72.37 -11.38 60.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.994 1.318 . . . . 0.0 113.111 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -87.1 -47.43 8.91 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.264 -0.897 . . . . 0.0 109.872 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -75.58 -50.77 14.55 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.156 -169.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 -22.96 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -169.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.8 ttp-105 -94.25 15.05 18.35 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.687 1.585 . . . . 0.0 112.585 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -48.44 -34.77 11.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.192 0.997 . . . . 0.0 113.642 -169.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -144.86 52.63 1.22 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.079 0.952 . . . . 0.0 108.66 168.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.03 16.29 5.28 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.58 1.086 . . . . 0.0 112.603 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -59.23 -6.54 0.96 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.699 1.6 . . . . 0.0 114.418 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -60.54 -17.66 47.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.905 0.882 . . . . 0.0 111.592 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -136.69 169.48 17.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.359 1.464 . . . . 0.0 108.188 170.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -64.45 -31.06 72.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.991 1.716 . . . . 0.0 113.417 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.5 -172.55 36.14 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -147.41 149.76 33.34 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.354 1.061 . . . . 0.0 109.417 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.81 -54.69 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.156 1.36 . . . . 0.0 111.95 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.37 -31.2 72.3 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.88 -26.69 48.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.447 1.099 . . . . 0.0 112.16 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -72.52 -28.24 62.74 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.691 -0.631 . . . . 0.0 111.827 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.91 162.85 24.75 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.944 0.897 . . . . 0.0 109.442 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.32 159.77 25.99 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.83 144.02 31.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.556 1.142 . . . . 0.0 108.173 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.21 120.65 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -63.01 -16.95 61.56 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.69 61.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.83 0.852 . . . . 0.0 111.203 169.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.51 -36.64 76.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.781 0.719 . . . . 0.0 110.769 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.41 -38.46 90.01 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.125 0.42 . . . . 0.0 110.795 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.69 -50.74 63.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.959 0.904 . . . . 0.0 110.182 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.52 110.86 3.48 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 108.587 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.39 135.8 52.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -154.17 165.24 36.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.501 1.12 . . . . 0.0 109.252 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.85 -2.89 22.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.18 156.43 31.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.038 0.836 . . . . 0.0 109.639 173.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -77.63 161.42 27.82 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 121.694 -0.629 . . . . 0.0 110.066 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 p -140.24 169.1 18.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.685 1.594 . . . . 0.0 108.01 172.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 76.3 mt 55.79 31.34 17.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.256 1.422 . . . . 0.0 111.944 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.53 145.17 55.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.488 0.715 . . . . 0.0 109.955 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -141.04 6.15 1.96 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.146 1.379 . . . . 0.0 112.058 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.936 1.244 . . . . 0.0 110.423 -179.502 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -143.47 171.55 14.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.178 1.391 . . . . 0.0 108.657 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -74.41 45.22 0.22 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.674 1.99 . . . . 0.0 109.964 169.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -50.8 -36.36 36.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.206 1.403 . . . . 0.0 114.516 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -50.24 -56.58 10.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.5 m -72.53 -40.08 67.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.348 0.659 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.251 0.62 . . . . 0.0 111.988 -171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -137.53 -26.8 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -172.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -22.67 62.34 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 120.543 1.519 . . . . 0.0 112.774 -169.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -58.2 -11.23 2.46 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -50.1 -34.99 23.77 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.633 1.106 . . . . 0.0 111.692 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -154.12 -24.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.96 66.57 3.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 m -65.53 12.49 0.05 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.811 2.044 . . . . 0.0 114.824 -173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -140.83 145.43 36.24 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.124 1.77 . . . . 0.0 106.494 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.08 132.93 28.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.822 1.249 . . . . 0.0 110.244 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -56.23 -23.31 35.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.522 1.129 . . . . 0.0 112.782 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.4 -104.13 0.39 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.621 1.581 . . . . 0.0 112.114 169.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -46.72 -36.99 7.78 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.184 1.794 . . . . 0.0 113.36 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 -31.75 45.88 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.9 -33.23 75.53 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 47.36 41.68 12.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.473 1.509 . . . . 0.0 112.595 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.7 mttp 50.78 30.51 5.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.77 1.628 . . . . 0.0 113.539 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -65.68 -27.78 68.6 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.429 -0.794 . . . . 0.0 111.844 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -61.54 175.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.774 1.23 . . . . 0.0 111.694 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 14.5 tp 81.93 13.29 0.59 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.615 2.766 . . . . 0.0 111.794 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.73 -31.04 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.264 -0.898 . . . . 0.0 111.452 169.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.97 -20.63 17.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 113.28 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -129.54 20.63 5.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.155 1.382 . . . . 0.0 111.035 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -135.66 -13.58 1.96 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.12 0.968 . . . . 0.0 111.906 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.09 164.66 30.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.416 1.486 . . . . 0.0 108.063 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.94 96.28 1.27 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.92 125.36 22.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.976 0.91 . . . . 0.0 110.323 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.96 45.23 19.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.954 1.702 . . . . 0.0 112.967 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.39 142.86 20.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.623 0.769 . . . . 0.0 111.066 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.2 tp -152.18 -51.56 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.236 1.015 . . . . 0.0 109.815 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.46 163.61 36.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.663 1.585 . . . . 0.0 106.834 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -57.02 -23.01 43.18 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.8 p -63.3 -15.57 57.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.829 1.252 . . . . 0.0 112.539 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 16.2 tp -124.04 17.75 9.25 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.324 1.85 . . . . 0.0 109.929 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.13 155.69 19.99 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.12 -13.69 29.38 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.365 1.066 . . . . 0.0 111.833 176.471 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -138.61 174.5 10.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.024 1.73 . . . . 0.0 107.577 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -52.0 112.77 0.84 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 112.128 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.18 -34.28 73.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.599 0.76 . . . . 0.0 112.483 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.1 -55.43 31.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -62.94 -35.29 79.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.024 0.93 . . . . 0.0 111.751 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.4 -41.4 93.69 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.085 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -149.04 -37.85 0.16 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -170.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.68 -28.16 64.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.768 1.622 . . . . 0.0 111.594 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.63 -12.86 25.87 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -58.69 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.903 0.774 . . . . 0.0 112.095 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -134.46 -22.24 1.73 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.466 1.106 . . . . 0.0 112.895 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.48 -35.71 37.06 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.313 0.958 . . . . 0.0 114.118 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.9 m -68.91 -0.02 5.03 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.54 -26.09 53.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.364 0.984 . . . . 0.0 111.807 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -141.93 170.35 15.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.384 1.074 . . . . 0.0 108.711 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.42 -31.95 68.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.467 1.907 . . . . 0.0 112.215 -174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.38 161.01 29.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.11 171.07 19.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.874 1.67 . . . . 0.0 107.641 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.84 -100.72 0.1 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 125.479 1.514 . . . . 0.0 111.422 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.6 -42.12 98.27 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.72 121.92 9.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.932 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -149.33 154.55 39.15 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 106.735 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -127.41 -25.58 3.17 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.12 -41.26 90.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.341 0.518 . . . . 0.0 110.607 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 49.7 tp -80.83 149.22 29.63 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 149.27 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 110.929 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -131.84 3.59 4.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.696 1.199 . . . . 0.0 112.229 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.51 9.11 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 128.018 2.527 . . . . 0.0 106.104 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.55 134.2 23.51 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.43 -0.794 . . . . 0.0 111.068 173.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -162.7 151.97 15.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.098 2.159 . . . . 0.0 107.142 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.92 -39.22 63.98 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 57.3 tp -72.47 -33.19 66.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.07 0.85 . . . . 0.0 109.657 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.0 -8.42 29.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.739 1.216 . . . . 0.0 112.869 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -51.83 126.03 16.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.746 1.157 . . . . 0.0 112.463 -175.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.0 166.57 32.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.984 1.714 . . . . 0.0 108.487 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.12 -27.33 63.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -172.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.89 -8.78 5.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.23 1.012 . . . . 0.0 113.132 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.3 p -63.07 -21.15 65.97 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.206 0.912 . . . . 0.0 111.582 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -138.58 -41.01 0.5 Allowed 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.792 1.237 . . . . 0.0 110.648 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.91 129.37 41.51 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.97 0.908 . . . . 0.0 110.613 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -144.17 158.74 43.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.266 1.827 . . . . 0.0 107.667 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 C--O 1.247 0.929 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 176.396 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.96 167.07 22.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.281 1.432 . . . . 0.0 109.115 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -74.97 51.14 0.49 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.071 2.148 . . . . 0.0 109.689 169.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -51.25 -34.68 33.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.609 1.564 . . . . 0.0 113.829 -169.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.27 -36.24 82.48 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -63.69 -41.57 98.12 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.35 -44.89 93.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.64 0.655 . . . . 0.0 111.24 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -82.69 -33.86 27.53 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.168 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -141.15 -41.02 0.39 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.52 1.055 . . . . 0.0 113.774 -169.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -106.15 63.65 0.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.063 0.945 . . . . 0.0 109.619 -169.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.33 -33.13 12.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.194 0.998 . . . . 0.0 112.612 -174.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -145.86 165.58 28.47 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.986 1.314 . . . . 0.0 107.923 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 82.59 29.31 36.23 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -61.44 -8.02 3.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.374 1.87 . . . . 0.0 115.137 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -77.97 52.31 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.883 1.273 . . . . 0.0 110.421 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -150.98 158.03 43.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 126.135 1.774 . . . . 0.0 108.213 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -137.44 118.5 14.38 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.9 178.76 53.55 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -52.1 130.1 29.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.643 0.777 . . . . 0.0 110.3 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.71 -81.79 0.29 Allowed Glycine 0 C--N 1.332 0.323 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 -169.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.43 -47.37 86.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.2 -52.42 65.76 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -64.96 -38.08 89.79 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.394 0.997 . . . . 0.0 110.713 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -63.99 -39.52 94.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.022 0.529 . . . . 0.0 111.323 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.07 -38.91 56.51 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.041 -0.412 . . . . 0.0 111.534 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.69 -41.85 91.64 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.114 0.965 . . . . 0.0 111.842 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.18 -11.63 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.42 -26.93 68.96 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.714 1.143 . . . . 0.0 111.312 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.46 137.22 58.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.557 0.617 . . . . 0.0 109.518 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -162.16 161.0 27.84 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.423 1.089 . . . . 0.0 108.557 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.0 t0 44.14 48.84 7.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.236 1.814 . . . . 0.0 113.426 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.7 120.09 9.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.66 -56.97 5.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.138 0.575 . . . . 0.0 110.228 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 38.6 47.77 1.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.783 2.033 . . . . 0.0 113.286 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.26 153.76 43.12 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.497 -0.752 . . . . 0.0 110.32 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.93 -43.42 94.97 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.209 1.003 . . . . 0.0 111.068 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.18 136.26 46.39 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.021 0.528 . . . . 0.0 109.662 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.5 117.52 6.85 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -42.58 86.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.044 0.938 . . . . 0.0 111.147 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 64.2 tp -157.44 141.46 16.07 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.988 1.715 . . . . 0.0 106.647 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.57 -35.92 60.51 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.64 152.46 42.17 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.624 0.77 . . . . 0.0 109.896 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.247 0.954 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.294 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -156.72 143.47 18.54 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.665 1.186 . . . . 0.0 108.772 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -158.05 112.7 2.61 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 169.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -49.41 -46.36 47.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.27 -35.27 67.26 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -65.57 -14.02 60.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.627 0.771 . . . . 0.0 112.546 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -110.12 -43.91 3.86 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 125.341 1.456 . . . . 0.0 110.678 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -83.06 -12.89 56.75 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -142.4 59.63 1.45 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.385 1.474 . . . . 0.0 108.155 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -55.94 154.35 7.49 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.639 -0.663 . . . . 0.0 109.749 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -58.03 -35.8 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.854 0.461 . . . . 0.0 110.994 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -145.22 128.95 17.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.03 -1.99 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.796 -1.002 . . . . 0.0 113.796 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 m -145.69 165.9 27.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.815 1.308 . . . . 0.0 110.506 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -137.01 -8.45 1.8 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.062 0.945 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.15 141.04 54.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.169 1.35 . . . . 0.0 109.811 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.11 -11.84 59.39 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.73 28.06 67.48 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 119.644 1.111 . . . . 0.0 111.673 -169.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -75.77 75.2 2.73 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.307 1.443 . . . . 0.0 110.857 -172.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -160.29 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 124.254 0.93 . . . . 0.0 110.817 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.96 -31.82 72.2 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -15.38 26.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.59 -21.84 64.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.455 1.025 . . . . 0.0 111.716 172.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.37 163.79 8.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.893 0.877 . . . . 0.0 110.736 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -136.16 157.57 46.5 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.3 1.44 . . . . 0.0 109.177 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 tp -148.29 161.95 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.228 1.411 . . . . 0.0 108.522 -171.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.5 t 56.49 45.33 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.289 1.036 . . . . 0.0 109.68 -173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -61.42 -17.62 55.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.824 0.85 . . . . 0.0 112.929 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.93 156.5 45.49 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.693 1.597 . . . . 0.0 107.792 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -67.61 -33.66 75.43 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.361 0.264 . . . . 0.0 111.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -162.98 167.57 22.32 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.562 1.945 . . . . 0.0 106.948 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.49 -39.68 58.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.274 0.943 . . . . 0.0 111.074 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.09 -29.78 69.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.928 0.891 . . . . 0.0 112.259 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.55 -29.68 23.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.424 0.689 . . . . 0.0 110.655 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.57 -51.18 45.48 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.023 0.929 . . . . 0.0 111.732 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -19.39 64.4 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.86 0.754 . . . . 0.0 112.306 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.38 -6.37 53.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.206 1.002 . . . . 0.0 111.816 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -129.84 -17.54 3.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.186 0.994 . . . . 0.0 112.565 -170.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.9 p -58.95 155.97 12.41 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.44 1.018 . . . . 0.0 111.503 173.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -64.2 171.58 2.94 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.942 0.897 . . . . 0.0 111.56 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -144.94 157.89 43.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.458 1.503 . . . . 0.0 107.835 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' H ' ' HD3' ' A' ' 159' ' ' LYS . 0.0 OUTLIER -60.98 -23.42 65.36 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.248 0.975 0 C-N-CA 124.1 0.96 . . . . 0.0 109.663 179.113 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.434 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG21 HD13 ' A' ' 129' ' ' ILE . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.444 HD13 HG21 ' A' ' 79' ' ' VAL . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.41 HG23 HH12 ' A' ' 58' ' ' ARG . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.41 HH12 HG23 ' A' ' 55' ' ' THR . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 79' ' ' VAL . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 76' ' ' LEU . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 129' ' ' ILE . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 HD12 ' A' ' 133' ' ' ILE . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 133' ' ' ILE . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 79' ' ' VAL . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 48' ' ' PHE . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 37' ' ' LEU . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' LEU . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 67' ' ' SER . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 79' ' ' VAL . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 76' ' ' LEU . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.553 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 129' ' ' ILE . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 126' ' ' ILE . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 HH12 ' A' ' 58' ' ' ARG . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 HH12 HG23 ' A' ' 55' ' ' THR . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.594 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.594 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' A' ' 79' ' ' VAL . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 129' ' ' ILE . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.642 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.457 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' A' ' 48' ' ' PHE . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 22' ' ' LEU . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.417 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 129' ' ' ILE . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 79' ' ' VAL . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 99' ' ' LEU . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 118.594 -0.717 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 53' ' ' LYS . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' LEU . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 CA-C-O 119.393 -0.671 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 129' ' ' ILE . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 126' ' ' ILE . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 37' ' ' LEU . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE2' ' A' ' 33' ' ' TYR . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' A' ' 64' ' ' ASN . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 7' ' ' ILE . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 10' ' ' ILE . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' VAL . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 76' ' ' LEU . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 133' ' ' ILE . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 133' ' ' ILE . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 133' ' ' ILE . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.994 -0.337 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.417 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 99' ' ' LEU . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 79' ' ' VAL . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 76' ' ' LEU . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.343 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp . . . . . 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' HB1' ' A' ' 18' ' ' ALA . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 45' ' ' LEU . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 37' ' ' LEU . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 29' ' ' PHE . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' VAL . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 37' ' ' LEU . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.424 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' GLN . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' LEU . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' LYS . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' HB2' HD11 ' A' ' 133' ' ' ILE . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 61' ' ' LEU . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 81' ' ' TYR . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.4 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 75' ' ' GLN . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.433 ' CE2' HD23 ' A' ' 45' ' ' LEU . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.489 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 HH12 ' HB3' ' A' ' 84' ' ' ALA . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.537 ' HA ' HG22 ' A' ' 79' ' ' VAL . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' HH12 ' A' ' 58' ' ' ARG . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 79' ' ' VAL . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.61 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 37' ' ' LEU . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 81' ' ' TYR . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CE2' HD23 ' A' ' 45' ' ' LEU . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.529 -0.174 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -20.5 32.84 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -57.71 139.45 53.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 109.378 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.15 172.13 18.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.8 1.64 . . . . 0.0 109.284 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG21 HD13 ' A' ' 129' ' ' ILE . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -49.98 -49.14 51.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 m -65.34 -27.19 68.42 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.53 -0.731 . . . . 0.0 112.846 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -82.03 -34.02 29.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.785 0.834 . . . . 0.0 109.885 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.36 -39.19 82.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.589 0.755 . . . . 0.0 109.121 173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 123.6 148.23 0.0 OUTLIER 'General case' 0 C--O 1.233 0.212 1 C-N-CA 131.92 4.088 . . . . 0.0 110.062 168.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -151.9 159.1 43.93 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.301 1.041 . . . . 0.0 111.624 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -147.56 170.96 16.35 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 128.279 2.631 . . . . 0.0 104.735 168.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.95 115.21 3.87 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.002 -1.061 . . . . 0.0 108.768 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.89 50.89 14.22 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.774 1.178 . . . . 0.0 112.891 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 p -55.7 167.85 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.91 0.884 . . . . 0.0 111.245 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -49.98 -34.51 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.278 1.031 . . . . 0.0 111.332 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -130.3 141.1 50.62 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 168.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -147.37 18.34 1.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.902 1.681 . . . . 0.0 109.95 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.7 24.91 1.18 Allowed Glycine 0 C--N 1.341 0.848 0 C-N-CA 124.739 1.161 . . . . 0.0 112.157 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.28 -39.31 78.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.757 1.779 . . . . 0.0 112.118 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.78 -49.41 63.78 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.444 HD13 HG21 ' A' ' 79' ' ' VAL . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.21 -44.51 68.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.48 -35.03 71.57 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.552 -0.718 . . . . 0.0 110.83 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.27 21.79 9.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.954 1.302 . . . . 0.0 111.675 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -55.37 141.06 37.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.025 0.93 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.54 -41.79 83.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.289 1.036 . . . . 0.0 112.584 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.24 139.28 11.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.08 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 125.11 1.364 . . . . 0.0 112.278 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.0 tttm 30.13 -106.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.578 2.751 . . . . 0.0 110.87 -172.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.53 173.23 16.93 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 126.28 1.832 . . . . 0.0 107.156 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.36 -15.72 11.67 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -46.21 -32.11 2.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.012 1.725 . . . . 0.0 112.639 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.51 46.7 2.0 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.935 0.894 . . . . 0.0 108.839 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.66 -37.98 19.91 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.932 1.293 . . . . 0.0 112.979 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -64.39 -26.09 68.31 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.318 1.047 . . . . 0.0 113.268 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -150.73 50.63 0.87 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.421 1.105 . . . . 0.0 108.95 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.83 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.09 2.156 . . . . 0.0 115.416 -169.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.74 156.33 35.7 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.815 -1.178 . . . . 0.0 110.633 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -138.13 22.55 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.414 1.085 . . . . 0.0 110.652 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.6 p -55.54 -34.24 64.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.17 1.388 . . . . 0.0 111.507 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.0 174.18 13.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.692 1.997 . . . . 0.0 108.366 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -148.76 -47.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.774 0.83 . . . . 0.0 110.667 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -144.59 164.92 29.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.079 1.752 . . . . 0.0 108.111 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.748 1.619 . . . . 0.0 109.862 -174.484 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.31 -8.18 59.37 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -169.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -54.28 135.24 44.75 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.442 1.019 . . . . 0.0 111.775 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -154.49 166.75 32.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.248 1.819 . . . . 0.0 107.62 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.41 HG23 HH12 ' A' ' 58' ' ' ARG . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.41 HH12 HG23 ' A' ' 55' ' ' THR . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 79' ' ' VAL . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 76' ' ' LEU . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.49 -34.52 78.4 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 p -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.902 0.881 . . . . 0.0 111.91 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -72.22 -44.32 63.11 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 120.841 -1.162 . . . . 0.0 109.269 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.21 -30.77 62.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.629 -1.177 . . . . 0.0 112.868 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -141.89 19.51 2.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.06 43.23 0.79 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.719 -1.238 . . . . 0.0 111.182 169.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.12 -34.37 56.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.417 0.687 . . . . 0.0 112.464 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -152.74 169.21 23.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.594 1.158 . . . . 0.0 108.936 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 71.94 59.91 4.48 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 m -53.81 117.0 2.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.092 1.357 . . . . 0.0 111.089 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.55 169.94 20.32 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 127.912 2.485 . . . . 0.0 106.153 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.41 135.64 50.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -141.2 -6.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -169.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.43 145.9 49.62 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.102 0.865 . . . . 0.0 111.89 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -155.5 139.92 16.78 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 125.759 1.624 . . . . 0.0 106.911 171.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.68 -54.44 2.92 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.333 0.968 . . . . 0.0 110.978 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp -69.1 -20.37 64.07 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.83 -16.55 1.03 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.733 1.613 . . . . 0.0 113.757 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -55.31 -22.16 17.81 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.481 -0.762 . . . . 0.0 112.602 169.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -141.15 -33.32 0.52 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.756 1.223 . . . . 0.0 112.23 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.09 143.79 25.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.762 1.165 . . . . 0.0 110.568 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.6 tp 62.71 -49.92 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.61 2.764 . . . . 0.0 113.517 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.57 -16.83 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.008 0.822 . . . . 0.0 112.066 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -47.72 -29.25 2.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.875 1.67 . . . . 0.0 113.532 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.58 -34.25 25.07 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.73 0.812 . . . . 0.0 112.173 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -151.14 73.49 1.1 Allowed 'General case' 0 C--O 1.232 0.184 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 169.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.22 142.09 38.65 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.08 103.98 0.67 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.1 -37.38 87.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.039 0.935 . . . . 0.0 113.448 -169.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.73 162.9 17.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.749 0.819 . . . . 0.0 111.49 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.98 132.27 46.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.35 1.06 . . . . 0.0 109.998 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.05 159.74 40.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.287 1.035 . . . . 0.0 108.634 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.82 -9.99 2.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.525 1.53 . . . . 0.0 113.395 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -55.04 -26.46 37.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.91 0.884 . . . . 0.0 111.781 169.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.9 m -54.62 124.03 15.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.404 1.082 . . . . 0.0 108.819 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 40.4 tp 62.59 -34.33 0.12 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 128.608 2.763 . . . . 0.0 114.585 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -26.24 68.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.96 1.304 . . . . 0.0 112.456 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.68 59.85 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.169 1.388 . . . . 0.0 109.053 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.249 1.077 0 C-N-CA 124.538 1.135 . . . . 0.0 109.094 177.189 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -128.92 158.19 39.48 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.23 0.612 . . . . 0.0 111.209 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -158.52 147.97 19.31 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.708 2.003 . . . . 0.0 106.03 169.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.04 152.69 30.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 129' ' ' ILE . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 HD12 ' A' ' 133' ' ' ILE . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 133' ' ' ILE . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.418 HE22 ' CE1' ' A' ' 122' ' ' HIS . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.41 -34.29 74.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 m -67.61 -34.16 76.44 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.12 -0.988 . . . . 0.0 110.808 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.96 -45.26 78.31 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.324 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -65.33 -42.16 93.2 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 117.414 -1.279 . . . . 0.0 110.628 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 119.0 171.45 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 131.654 3.982 . . . . 0.0 109.941 172.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.61 149.01 47.78 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.276 1.43 . . . . 0.0 107.237 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -80.43 68.79 6.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.826 0.85 . . . . 0.0 109.134 173.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.18 15.88 2.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.335 1.854 . . . . 0.0 113.666 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.77 -13.39 39.32 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.732 1.158 . . . . 0.0 113.233 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 m -54.73 -26.25 32.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.746 1.273 . . . . 0.0 112.094 169.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -59.27 -25.99 64.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.081 0.952 . . . . 0.0 111.946 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -111.57 15.71 21.0 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.741 1.616 . . . . 0.0 110.787 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.418 ' CE1' HE22 ' A' ' 107' ' ' GLN . 23.2 t60 69.0 -32.62 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 129.154 2.982 . . . . 0.0 115.626 171.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.1 -170.82 40.97 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 120.042 1.292 . . . . 0.0 111.731 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.04 139.01 30.36 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.609 1.564 . . . . 0.0 107.607 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.68 -57.01 2.57 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.76 1.171 . . . . 0.0 111.091 -170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 79' ' ' VAL . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.09 -31.69 71.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.4 tp -53.98 -27.24 30.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.675 0.79 . . . . 0.0 112.58 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -82.25 -8.95 59.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.913 0.885 . . . . 0.0 112.395 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.77 119.91 9.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.241 0.928 . . . . 0.0 109.891 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.86 154.79 41.52 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 109.98 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.86 46.29 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.873 1.269 . . . . 0.0 110.744 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -57.43 -25.66 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.601 1.161 . . . . 0.0 111.621 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.32 -39.13 66.73 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.26 -0.9 . . . . 0.0 111.348 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.86 74.5 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.205 0.912 . . . . 0.0 111.617 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -74.82 -34.44 62.36 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.341 0.656 . . . . 0.0 110.355 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.49 -40.68 61.68 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.488 0.715 . . . . 0.0 111.665 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.2 mt -66.61 159.99 26.35 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.202 1.001 . . . . 0.0 111.006 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -26.88 61.56 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.759 0.824 . . . . 0.0 111.533 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -51.94 -20.64 2.45 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.939 1.696 . . . . 0.0 113.578 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.03 -23.32 5.03 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.333 1.453 . . . . 0.0 113.233 170.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -11.22 4.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.613 1.165 . . . . 0.0 113.817 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.53 -21.46 62.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.412 1.085 . . . . 0.0 111.997 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -58.05 164.79 2.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.081 0.952 . . . . 0.0 112.635 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.0 m -134.25 145.81 49.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.54 15.44 5.45 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.157 0.983 . . . . 0.0 111.531 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -149.46 154.09 38.29 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.947 1.299 . . . . 0.0 108.366 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -68.58 -21.12 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.9 tptt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 119.424 1.011 . . . . 0.0 109.494 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.29 3.17 11.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.294 1.437 . . . . 0.0 113.372 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -53.41 138.27 33.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.257 0.935 . . . . 0.0 111.024 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -151.86 158.57 43.41 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.841 1.657 . . . . 0.0 106.806 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 48' ' ' PHE . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 37' ' ' LEU . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' LEU . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 67' ' ' SER . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 79' ' ' VAL . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 76' ' ' LEU . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.553 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -53.79 -32.23 51.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 m -63.69 -25.79 68.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.089 -1.007 . . . . 0.0 111.978 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -89.15 -47.27 8.19 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.777 0.831 . . . . 0.0 109.934 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -63.9 -27.41 69.13 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.021 0.828 . . . . 0.0 112.807 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.47 -15.86 63.69 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.1 147.85 42.48 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.869 1.213 . . . . 0.0 110.456 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -69.95 -34.22 73.14 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.618 0.367 . . . . 0.0 111.548 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -149.29 152.47 35.95 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.879 1.271 . . . . 0.0 108.839 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.15 -18.54 35.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.351 0.976 . . . . 0.0 111.843 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.55 151.51 32.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.165 1.786 . . . . 0.0 109.317 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -125.09 -4.38 7.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.1 0.96 . . . . 0.0 111.485 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -153.35 164.46 38.1 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.214 2.605 . . . . 0.0 104.913 170.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -127.05 -8.15 5.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.066 1.346 . . . . 0.0 111.321 171.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.33 -31.3 0.95 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.877 1.227 . . . . 0.0 110.584 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.27 -32.78 66.95 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.368 1.067 . . . . 0.0 112.866 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.54 42.09 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 176.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.12 -52.5 18.99 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.07 -49.54 28.01 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.744 0.418 . . . . 0.0 110.945 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp 32.67 53.67 0.35 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.288 2.235 . . . . 0.0 112.6 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.06 -24.67 64.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -169.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -55.29 -33.81 63.58 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.848 0.859 . . . . 0.0 112.553 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.5 tp -156.58 88.3 1.06 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.52 145.73 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.008 0.923 . . . . 0.0 109.822 -174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -72.8 61.68 0.55 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.357 1.463 . . . . 0.0 109.849 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.61 65.89 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 111.417 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.91 -20.83 66.65 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.307 . . . . 0.0 111.325 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -146.61 161.37 40.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.997 2.119 . . . . 0.0 107.064 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 76.1 mt -129.89 -7.03 4.48 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.998 1.319 . . . . 0.0 112.043 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.79 -40.11 94.05 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.593 1.542 . . . . 0.0 109.962 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.47 -31.53 72.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.386 0.674 . . . . 0.0 111.973 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.27 -46.8 19.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.19 0.596 . . . . 0.0 111.127 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.4 tt -158.78 -62.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.649 1.179 . . . . 0.0 108.875 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.55 158.06 17.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.746 1.619 . . . . 0.0 107.579 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.32 162.22 8.06 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.944 -0.473 . . . . 0.0 109.979 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -135.39 162.06 33.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.644 1.178 . . . . 0.0 109.286 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 59.5 tp -151.8 150.35 30.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.361 1.464 . . . . 0.0 107.535 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.31 158.64 44.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 107.772 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -56.54 -32.9 65.58 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.005 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.249 1.038 0 C-N-CA 126.528 1.931 . . . . 0.0 109.981 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 -11.55 59.82 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -173.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.32 142.02 44.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.496 1.044 . . . . 0.0 110.286 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -149.25 161.18 42.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.525 1.53 . . . . 0.0 108.03 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 15.2 t70 -65.52 -39.69 92.1 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 p -67.65 -7.35 26.0 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.614 1.566 . . . . 0.0 112.622 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -100.19 -32.3 10.96 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.379 1.071 . . . . 0.0 109.16 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 110' ' ' ASP . 53.5 mtmt -61.08 -56.14 24.34 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.854 0.752 . . . . 0.0 110.147 169.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -81.68 33.94 0.38 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -69.04 -5.41 21.72 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.102 -0.999 . . . . 0.0 113.517 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -66.5 83.21 0.1 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.342 0.974 . . . . 0.0 108.895 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.8 t30 43.03 59.61 2.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.917 2.087 . . . . 0.0 112.368 -169.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.25 166.3 34.63 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -161.26 15.57 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.9 150.11 45.59 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.59 1.156 . . . . 0.0 108.306 -171.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.27 137.24 54.56 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.963 0.905 . . . . 0.0 110.492 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -131.24 -27.2 2.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.711 1.604 . . . . 0.0 110.183 169.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.96 16.46 30.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 124.461 1.029 . . . . 0.0 113.344 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.86 131.34 49.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.942 1.371 . . . . 0.0 110.808 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 82.11 -35.67 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.285 0.945 . . . . 0.0 112.171 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 129' ' ' ILE . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 126' ' ' ILE . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.1 -44.6 97.11 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.18 -2.77 8.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.902 1.281 . . . . 0.0 113.149 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.96 -35.59 80.66 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 121.012 -1.055 . . . . 0.0 108.61 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 146.95 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -160.69 164.98 31.29 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.76 -3.24 6.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.71 1.204 . . . . 0.0 113.844 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.3 10.2 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.365 1.466 . . . . 0.0 111.127 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -126.91 -19.0 4.53 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.665 1.586 . . . . 0.0 110.797 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -137.87 158.69 43.82 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.578 2.351 . . . . 0.0 106.389 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.84 -22.21 62.34 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.56 -0.713 . . . . 0.0 111.894 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -154.92 170.32 21.97 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.773 2.029 . . . . 0.0 106.864 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.04 120.06 5.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.461 1.104 . . . . 0.0 109.293 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.9 mt 53.26 27.26 5.9 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.017 2.127 . . . . 0.0 113.888 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.26 -26.04 68.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.41 -0.806 . . . . 0.0 110.739 169.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.41 152.25 38.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.317 1.847 . . . . 0.0 107.32 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.4 148.6 24.75 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -71.34 13.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.868 1.267 . . . . 0.0 112.762 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -86.47 32.65 0.64 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 119.774 -1.829 . . . . 0.0 109.923 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.7 p -60.81 -20.27 61.27 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.742 -1.224 . . . . 0.0 113.125 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -28.19 64.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.289 1.036 . . . . 0.0 111.832 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -115.33 -40.77 3.38 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.717 1.207 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -78.47 67.93 4.36 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.711 1.205 . . . . 0.0 109.453 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.883 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -69.11 177.7 2.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.284 0.634 . . . . 0.0 111.235 171.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -132.03 152.4 51.19 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.164 1.386 . . . . 0.0 108.713 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.15 -35.1 28.79 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 HH12 ' A' ' 58' ' ' ARG . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 HH12 HG23 ' A' ' 55' ' ' THR . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.64 -44.44 86.39 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 p -68.58 -4.54 15.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 113.108 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -101.95 -44.92 5.35 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 119.284 0.947 . . . . 0.0 109.641 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -79.85 -32.99 40.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.087 0.858 . . . . 0.0 113.107 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -144.0 63.66 1.33 Allowed 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.215 1.006 . . . . 0.0 110.695 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -74.49 46.18 0.26 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.954 -1.091 . . . . 0.0 112.61 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -123.41 -12.92 7.71 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.745 2.418 . . . . 0.0 108.857 168.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -131.17 -31.82 1.64 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.095 1.758 . . . . 0.0 109.961 169.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.9 6.21 20.78 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.663 1.125 . . . . 0.0 113.347 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 m -61.89 -17.76 57.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.921 1.689 . . . . 0.0 113.077 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.76 169.9 16.96 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.018 1.727 . . . . 0.0 108.156 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -42.1 73.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.802 0.841 . . . . 0.0 111.73 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.99 54.44 1.9 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.55 1.94 . . . . 0.0 111.358 -169.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.86 159.88 38.79 Favored Glycine 0 CA--C 1.532 1.138 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 170.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.15 140.07 58.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.683 0.793 . . . . 0.0 110.566 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.82 -53.32 4.04 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 125.045 1.307 . . . . 0.0 111.161 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.68 -34.5 74.43 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.09 -39.5 82.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.989 0.813 . . . . 0.0 111.232 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.11 -42.84 99.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.44 1.018 . . . . 0.0 110.427 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -67.04 -38.97 86.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.498 0.319 . . . . 0.0 111.278 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.82 -30.79 67.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.025 0.93 . . . . 0.0 112.275 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.96 68.71 2.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.502 1.521 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.16 172.33 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.284 1.833 . . . . 0.0 108.687 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.44 52.59 0.97 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.746 1.219 . . . . 0.0 110.936 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.49 166.55 5.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.939 0.896 . . . . 0.0 110.65 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -147.07 154.38 41.1 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.12 -44.6 96.29 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.471 0.578 . . . . 0.0 110.457 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 36.7 tp -83.72 61.58 6.4 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.297 1.039 . . . . 0.0 108.505 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -6.28 32.17 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.969 0.908 . . . . 0.0 112.217 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.28 -18.18 9.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.178 1.391 . . . . 0.0 113.33 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.63 -22.83 62.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.828 0.851 . . . . 0.0 112.997 171.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 61.2 tp -135.02 -32.12 0.97 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.602 1.161 . . . . 0.0 112.126 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.28 -14.55 11.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.977 1.311 . . . . 0.0 113.501 -172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -55.25 -18.08 5.59 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.154 0.982 . . . . 0.0 112.701 172.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 17.0 p -52.23 -35.44 49.65 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.857 1.208 . . . . 0.0 111.647 169.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.68 -37.02 85.77 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.498 0.719 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.5 -36.23 52.77 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.121 0.568 . . . . 0.0 111.036 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -65.09 -38.69 91.54 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.682 0.793 . . . . 0.0 111.455 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--O 1.249 1.055 0 C-N-CA 124.487 1.115 . . . . 0.0 109.76 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.16 -0.08 10.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.844 0.858 . . . . 0.0 113.045 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.94 149.09 37.57 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.474 0.579 . . . . 0.0 109.625 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -153.68 158.9 41.74 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.71 1.604 . . . . 0.0 108.537 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.594 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.594 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' A' ' 79' ' ' VAL . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 129' ' ' ILE . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.642 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.01 -39.67 90.44 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.9 m -63.4 -27.78 69.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.713 0.805 . . . . 0.0 112.183 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -73.02 -36.69 67.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.801 0.841 . . . . 0.0 111.715 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -119.56 -11.55 9.44 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -142.4 35.7 1.49 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.746 1.218 . . . . 0.0 109.38 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.14 -36.87 78.49 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.91 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.2 t30 31.29 -83.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 129.035 2.934 . . . . 0.0 114.187 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.88 55.45 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.625 1.102 . . . . 0.0 109.864 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.11 64.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.1 m -87.79 18.48 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.942 1.697 . . . . 0.0 112.729 -169.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -59.88 168.09 1.94 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.69 -0.631 . . . . 0.0 110.535 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.66 33.82 23.36 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.841 1.256 . . . . 0.0 111.712 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -134.0 -2.68 2.88 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.078 0.951 . . . . 0.0 112.477 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.49 131.11 34.77 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.36 -35.25 75.25 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.548 0.674 . . . . 0.0 112.062 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.09 -46.45 93.31 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.457 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp -69.88 -17.59 63.36 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 51.0 29.89 4.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.812 1.645 . . . . 0.0 111.568 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 44.7 28.07 0.31 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.024 1.73 . . . . 0.0 113.24 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.99 -33.95 76.89 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.696 0.798 . . . . 0.0 112.053 -173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -143.16 69.3 1.3 Allowed 'General case' 0 C--O 1.231 0.082 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.67 73.55 0.25 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.847 1.659 . . . . 0.0 112.24 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.63 158.07 6.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 123.79 0.836 . . . . 0.0 109.008 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.3 151.1 40.11 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -157.05 170.85 21.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.102 1.361 . . . . 0.0 108.975 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -150.39 169.45 21.4 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.251 1.42 . . . . 0.0 108.462 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.63 -33.97 74.87 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.578 0.751 . . . . 0.0 112.908 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -148.57 129.66 14.49 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.09 159.6 43.62 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 126.067 1.747 . . . . 0.0 107.716 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.27 -28.14 69.5 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.387 0.675 . . . . 0.0 112.624 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.21 -16.08 63.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.161 0.984 . . . . 0.0 113.002 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.32 124.0 19.73 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 109.972 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -155.46 161.75 40.89 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.834 1.653 . . . . 0.0 107.601 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -141.15 30.07 1.8 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.285 1.034 . . . . 0.0 111.259 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 33.9 p -65.71 156.6 32.5 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.975 -1.078 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.9 tp -114.16 17.83 17.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.639 1.176 . . . . 0.0 110.29 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -66.02 -12.06 52.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.663 1.185 . . . . 0.0 112.325 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.63 169.76 17.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.871 2.068 . . . . 0.0 108.777 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp . . . . . 0 C--O 1.25 1.126 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.089 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.01 -0.432 . . . . 0.0 111.011 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.54 122.43 14.65 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -154.87 178.7 9.86 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 126.477 1.911 . . . . 0.0 107.978 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' A' ' 48' ' ' PHE . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 22' ' ' LEU . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.417 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 129' ' ' ILE . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.35 -62.0 1.91 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 p -67.4 -27.13 66.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.132 1.373 . . . . 0.0 112.383 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.63 -43.91 71.72 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.69 -26.51 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -68.59 -23.57 64.48 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.458 1.935 . . . . 0.0 111.116 -169.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.14 -19.97 23.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.333 172.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -53.93 -36.99 63.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.841 1.201 . . . . 0.0 111.175 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -89.3 -48.88 7.06 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.62 -43.44 21.68 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 126.105 1.812 . . . . 0.0 114.886 -171.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m -70.24 -6.95 38.32 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.087 0.944 . . . . 0.0 113.486 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -124.75 -28.49 3.52 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.798 1.239 . . . . 0.0 111.101 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -155.56 137.35 14.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.548 1.539 . . . . 0.0 108.162 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.51 23.6 2.3 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.625 1.17 . . . . 0.0 110.391 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -97.51 19.5 54.45 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.882 1.229 . . . . 0.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -155.12 178.87 9.72 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.571 1.548 . . . . 0.0 108.969 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.08 -125.31 9.57 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 79' ' ' VAL . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 99' ' ' LEU . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.2 -34.27 76.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.26 -20.83 60.64 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.855 0.862 . . . . 0.0 112.384 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -72.65 -37.58 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.491 1.042 . . . . 0.0 110.662 173.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -73.08 -32.0 64.73 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.87 0.468 . . . . 0.0 110.8 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.9 t70 52.96 25.3 3.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.002 1.721 . . . . 0.0 113.435 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt 53.09 27.88 6.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.089 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.51 131.67 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.128 0.876 . . . . 0.0 110.103 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.42 -33.9 70.19 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.829 -0.544 . . . . 0.0 111.802 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.23 -8.56 5.9 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.387 1.075 . . . . 0.0 113.83 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -63.41 -12.96 34.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.676 1.126 . . . . 0.0 112.585 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 155.1 49.22 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.298 1.439 . . . . 0.0 108.133 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.44 -14.38 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.102 1.361 . . . . 0.0 113.603 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.07 -17.92 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.381 1.072 . . . . 0.0 113.83 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -143.26 144.8 32.28 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.507 1.049 . . . . 0.0 109.069 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -156.35 146.58 21.41 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.897 1.279 . . . . 0.0 108.66 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 43.5 tp -153.55 156.41 38.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.525 1.53 . . . . 0.0 107.668 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -62.2 166.67 4.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.776 0.83 . . . . 0.0 110.821 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -60.6 -19.36 57.56 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 12.9 t -151.65 172.23 16.4 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.691 1.196 . . . . 0.0 107.912 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.3 tp -130.01 5.66 4.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.7 1.6 . . . . 0.0 109.626 169.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.28 -32.92 74.46 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.467 -0.771 . . . . 0.0 111.331 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -77.69 61.87 2.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.519 1.128 . . . . 0.0 108.695 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.251 1.148 0 C-N-CA 124.551 1.14 . . . . 0.0 109.069 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -138.25 166.44 24.18 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.362 1.465 . . . . 0.0 108.119 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -80.17 47.47 0.91 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.992 0.901 . . . . 0.0 111.068 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -65.75 -9.86 31.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.427 -0.796 . . . . 0.0 112.655 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 53' ' ' LYS . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' LEU . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.28 -35.91 68.0 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 m -73.62 -19.24 60.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.633 -0.667 . . . . 0.0 111.925 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -87.35 -35.17 18.53 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.436 1.094 . . . . 0.0 109.013 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -29.64 70.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.253 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 69.47 173.74 0.3 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.814 2.046 . . . . 0.0 111.266 173.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -126.88 11.16 7.13 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.669 0.788 . . . . 0.0 112.8 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -56.58 123.77 15.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.959 0.799 . . . . 0.0 108.879 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.0 t30 46.65 39.37 6.91 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.24 1.416 . . . . 0.0 112.104 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.61 -22.11 0.13 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 118.42 -1.211 . . . . 0.0 113.313 -170.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -50.15 -31.49 13.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.994 1.897 . . . . 0.0 113.005 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -55.11 -22.65 17.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.387 1.475 . . . . 0.0 114.295 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -140.89 4.02 1.86 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.417 1.087 . . . . 0.0 112.162 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -55.93 133.17 51.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.465 0.65 . . . . 0.0 111.412 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.46 0.12 82.68 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 118.069 -1.406 . . . . 0.0 114.082 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.46 -36.05 68.62 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.623 2.212 . . . . 0.0 112.426 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.06 67.5 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.957 0.789 . . . . 0.0 112.879 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 129' ' ' ILE . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 126' ' ' ILE . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp -65.83 -49.93 66.41 Favored 'General case' 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.33 -41.12 92.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.263 0.625 . . . . 0.0 110.184 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -92.08 10.98 26.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.847 0.859 . . . . 0.0 111.817 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -61.0 149.22 37.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.77 0.714 . . . . 0.0 110.36 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.45 -25.17 66.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -138.31 165.89 25.59 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.094 0.958 . . . . 0.0 111.705 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.96 159.73 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 126.376 1.87 . . . . 0.0 106.103 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -54.8 -24.8 24.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.49 -18.22 27.3 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -58.72 -33.48 70.27 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.292 0.951 . . . . 0.0 111.396 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.86 133.46 50.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.881 0.764 . . . . 0.0 110.775 -175.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.7 tp 43.29 53.6 5.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.686 1.994 . . . . 0.0 112.707 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.7 tp -147.04 158.72 44.02 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.161 1.385 . . . . 0.0 107.418 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.54 -24.3 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.227 0.611 . . . . 0.0 112.267 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.18 -11.51 57.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.51 1.524 . . . . 0.0 113.442 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.1 tp -52.2 142.5 16.47 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.863 1.265 . . . . 0.0 111.356 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -143.59 150.84 39.4 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.63 -32.15 70.17 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.154 0.434 . . . . 0.0 111.273 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.4 m 50.01 44.9 25.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 111.091 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.16 -28.9 68.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.63 0.772 . . . . 0.0 110.603 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.8 160.37 40.87 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.555 1.942 . . . . 0.0 105.983 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.4 -26.01 59.82 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.753 -0.592 . . . . 0.0 110.684 172.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.249 1.033 0 C-N-CA 124.187 0.995 . . . . 0.0 109.341 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -68.61 151.87 46.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.404 0.682 . . . . 0.0 109.794 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -80.77 34.13 0.33 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.329 1.452 . . . . 0.0 109.395 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -61.7 -18.46 59.75 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.451 1.501 . . . . 0.0 114.986 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 37' ' ' LEU . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.39 -23.82 58.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.0 p -55.21 -54.99 36.44 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.982 0.913 . . . . 0.0 110.015 169.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -67.14 -37.56 84.03 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 123.559 0.744 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.88 -39.76 95.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 118.119 -0.944 . . . . 0.0 111.518 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.83 -37.83 0.11 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -172.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -74.62 -19.32 60.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.187 1.812 . . . . 0.0 112.878 -169.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -53.66 -45.18 70.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.665 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -166.85 117.21 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.595 1.158 . . . . 0.0 108.192 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 144.05 -46.5 0.82 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m 64.42 -19.63 0.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.96 2.504 . . . . 0.0 116.43 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -149.39 153.4 37.32 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.933 1.693 . . . . 0.0 107.395 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -155.93 156.82 35.23 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.726 1.61 . . . . 0.0 107.703 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -128.89 20.13 5.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 111.623 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.97 19.79 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.608 1.099 . . . . 0.0 111.099 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -140.92 159.01 43.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.649 1.18 . . . . 0.0 109.369 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 -104.64 0.24 Allowed Glycine 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 -172.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -32.57 73.52 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 31.6 tp 66.69 -44.61 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.734 2.814 . . . . 0.0 115.863 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -140.68 10.52 2.24 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.325 0.966 . . . . 0.0 111.887 -171.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -63.39 140.47 58.88 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.363 -0.835 . . . . 0.0 109.14 171.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -158.83 168.09 27.73 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.789 1.635 . . . . 0.0 107.099 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.69 -37.92 63.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.575 0.75 . . . . 0.0 112.012 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.54 -38.43 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 118.765 0.711 . . . . 0.0 111.39 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.66 -43.57 75.91 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.24 -0.24 1.67 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 113.486 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -132.9 19.66 4.15 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.595 1.558 . . . . 0.0 110.093 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.84 -33.47 74.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.731 -0.606 . . . . 0.0 110.808 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 141.6 57.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 109.326 171.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -144.09 168.0 21.04 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.11 1.364 . . . . 0.0 109.179 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -50.21 -42.23 51.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.434 1.494 . . . . 0.0 112.817 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.78 -20.13 60.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.925 1.29 . . . . 0.0 113.611 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.4 9.97 10.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.444 1.498 . . . . 0.0 110.63 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -113.35 -34.27 5.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.612 1.165 . . . . 0.0 109.987 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -57.45 -26.15 60.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.092 0.86 . . . . 0.0 112.774 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -58.47 -22.51 54.98 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.554 1.142 . . . . 0.0 112.523 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.75 -15.09 61.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.203 1.001 . . . . 0.0 112.04 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.22 -159.48 0.97 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.716 1.206 . . . . 0.0 109.901 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -66.44 146.24 54.78 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.221 1.408 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.247 0.969 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.702 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.81 159.99 41.17 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.249 1.42 . . . . 0.0 107.975 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -160.23 150.73 18.56 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.97 0.908 . . . . 0.0 109.196 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.74 -42.25 24.95 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.565 1.546 . . . . 0.0 113.68 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE2' ' A' ' 33' ' ' TYR . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' A' ' 64' ' ' ASN . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 7' ' ' ILE . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 10' ' ' ILE . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.67 -40.47 69.11 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -70.15 -1.08 9.06 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -118.53 -45.32 2.62 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 124.579 1.152 . . . . 0.0 110.027 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -76.01 -20.32 57.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -137.65 -164.81 1.67 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.995 2.118 . . . . 0.0 107.229 171.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 55.54 30.18 14.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.443 1.497 . . . . 0.0 112.112 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.7 -25.0 64.42 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.665 -0.647 . . . . 0.0 110.984 171.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -129.39 166.15 20.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.764 2.425 . . . . 0.0 106.17 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.92 16.73 0.21 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.721 1.153 . . . . 0.0 114.625 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 m -51.53 131.53 29.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.081 2.153 . . . . 0.0 109.983 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -66.59 175.88 2.15 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.109 0.564 . . . . 0.0 111.175 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.57 142.26 57.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 109.495 169.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -145.44 24.32 1.41 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.786 1.235 . . . . 0.0 110.181 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.46 -156.8 7.25 Favored Glycine 0 CA--C 1.525 0.688 0 O-C-N 121.251 -0.905 . . . . 0.0 111.792 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -144.62 158.34 43.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.417 1.487 . . . . 0.0 108.318 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.16 -97.78 0.17 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 -172.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.24 -31.7 70.44 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.8 tp -51.13 -29.29 13.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.645 1.178 . . . . 0.0 112.789 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -81.87 -5.37 58.19 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.134 0.973 . . . . 0.0 112.331 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.45 146.01 36.68 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.326 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -80.03 57.58 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.139 1.376 . . . . 0.0 110.324 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.7 tp -51.26 -24.71 4.72 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 127.337 2.255 . . . . 0.0 114.901 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.31 -25.55 20.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.443 1.02 . . . . 0.0 112.458 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -66.52 -2.87 5.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.269 0.941 . . . . 0.0 113.44 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -132.63 19.61 4.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.253 1.421 . . . . 0.0 111.128 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -123.91 136.74 54.53 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.68 -28.05 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.908 2.483 . . . . 0.0 115.155 -172.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.8 tp -147.76 153.62 39.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.74 2.016 . . . . 0.0 107.63 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 51.1 tp -151.72 149.67 29.33 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.864 2.066 . . . . 0.0 105.544 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.01 152.81 46.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.664 0.785 . . . . 0.0 109.259 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.63 -23.42 51.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.829 1.252 . . . . 0.0 113.183 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.51 -21.66 60.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.37 1.068 . . . . 0.0 112.415 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 69.1 -40.01 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 128.364 2.665 . . . . 0.0 111.865 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -78.52 59.07 2.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.197 1.399 . . . . 0.0 108.256 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -51.57 147.22 6.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.987 1.315 . . . . 0.0 110.827 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.27 173.31 13.15 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 127.259 2.223 . . . . 0.0 107.242 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.51 106.42 0.39 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.247 0.619 . . . . 0.0 109.979 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -157.03 151.74 25.66 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.681 1.593 . . . . 0.0 107.462 -171.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.247 0.965 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 176.341 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.969 -0.012 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -140.25 127.98 21.77 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.851 0.861 . . . . 0.0 109.382 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -155.76 135.74 12.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -150.8 160.24 44.0 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 170.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' VAL . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 76' ' ' LEU . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 133' ' ' ILE . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.73 -47.36 82.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -72.62 -0.23 12.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.963 1.305 . . . . 0.0 113.053 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -110.67 -39.84 4.75 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 109.993 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -142.44 3.51 1.51 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -130.51 34.84 4.1 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.881 1.219 . . . . 0.0 109.045 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.82 -7.27 55.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.879 1.672 . . . . 0.0 113.91 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.97 -60.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.631 2.372 . . . . 0.0 111.072 -168.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.61 121.46 11.64 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.2 -45.96 2.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.531 1.062 . . . . 0.0 112.43 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -64.53 -23.62 67.33 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.092 0.946 . . . . 0.0 113.306 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 48.4 53.36 12.09 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.132 1.373 . . . . 0.0 110.543 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.74 168.45 23.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.95 2.1 . . . . 0.0 107.647 -170.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -130.37 27.17 5.07 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.068 1.347 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.34 71.73 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.962 0.792 . . . . 0.0 111.161 -172.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.37 -33.72 74.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.923 1.362 . . . . 0.0 111.089 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.95 -6.94 33.92 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 133' ' ' ILE . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.75 -29.57 66.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.39 134.37 50.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.286 1.034 . . . . 0.0 111.802 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -65.59 159.37 24.84 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 169.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -50.92 -38.05 47.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.812 0.845 . . . . 0.0 113.137 -175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -148.21 74.55 1.3 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.93 118.3 7.06 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.06 159.62 13.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 126.828 2.051 . . . . 0.0 105.881 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.23 -31.32 63.41 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.779 -0.576 . . . . 0.0 112.233 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.29 -19.43 65.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -65.02 149.82 49.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.01 1.277 . . . . 0.0 110.328 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.16 169.29 24.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.415 1.886 . . . . 0.0 107.33 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.54 -42.6 67.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 110.863 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.0 tp -105.96 98.2 7.92 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.12 164.26 39.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.965 1.306 . . . . 0.0 109.17 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -51.95 -19.63 1.91 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.768 2.027 . . . . 0.0 114.537 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.71 -12.67 7.49 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.99 0.813 . . . . 0.0 112.808 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.56 147.96 45.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.935 1.294 . . . . 0.0 108.089 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -64.44 167.7 6.66 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.153 0.581 . . . . 0.0 110.188 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.5 p -73.3 40.24 0.1 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.074 1.75 . . . . 0.0 111.75 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.19 107.04 1.82 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.231 1.412 . . . . 0.0 108.848 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.51 151.86 45.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.225 1.01 . . . . 0.0 110.122 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -141.91 157.49 44.91 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.426 1.09 . . . . 0.0 109.484 -171.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.604 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 119.135 -0.459 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -82.64 -35.02 27.32 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.714 0.688 . . . . 0.0 109.886 171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -62.78 138.26 58.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -151.48 176.42 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.062 1.745 . . . . 0.0 107.076 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 133' ' ' ILE . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.24 -65.63 0.53 Allowed 'General case' 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.22 -24.68 51.23 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.72 0.408 . . . . 0.0 111.589 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -66.97 -44.04 81.51 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.206 0.602 . . . . 0.0 111.144 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -148.08 -20.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -79.69 -176.07 5.17 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.426 1.466 . . . . 0.0 109.845 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 65.19 20.85 12.03 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.356 1.462 . . . . 0.0 112.897 170.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -76.56 70.43 3.09 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.52 1.128 . . . . 0.0 109.774 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.0 t30 45.55 51.5 9.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.373 1.869 . . . . 0.0 112.282 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.34 33.39 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.157 0.884 . . . . 0.0 111.958 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.0 m -144.93 33.02 1.12 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.728 1.211 . . . . 0.0 111.473 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -56.74 -26.96 58.42 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.239 0.615 . . . . 0.0 112.162 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -121.97 -39.17 2.63 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.111 0.965 . . . . 0.0 110.909 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -61.73 -16.49 49.74 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.52 -28.85 68.24 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.335 0.97 . . . . 0.0 111.978 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.94 -14.33 61.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.543 0.737 . . . . 0.0 112.214 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -48.65 -64.67 3.04 Favored Glycine 0 C--N 1.342 0.865 0 C-N-CA 125.331 1.443 . . . . 0.0 113.466 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 99' ' ' LEU . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -42.86 99.88 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.6 tp -69.11 -35.9 76.93 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.641 0.777 . . . . 0.0 111.919 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -143.72 111.25 5.93 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.597 0.759 . . . . 0.0 109.762 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -149.51 165.77 31.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.278 1.831 . . . . 0.0 107.204 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.68 156.18 17.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.375 0.67 . . . . 0.0 110.324 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.54 115.29 3.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.405 1.082 . . . . 0.0 109.815 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.65 161.09 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.947 0.899 . . . . 0.0 110.745 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -148.36 159.18 44.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.867 1.267 . . . . 0.0 108.305 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -134.61 -179.2 5.45 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.898 1.679 . . . . 0.0 108.884 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -146.99 140.36 25.49 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.95 -37.35 87.36 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.809 0.443 . . . . 0.0 111.3 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.25 78.46 3.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.87 155.51 19.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 109.26 173.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.91 -26.65 48.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.565 1.146 . . . . 0.0 113.328 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.86 148.23 31.63 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.02 1.328 . . . . 0.0 107.863 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.04 31.49 2.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.027 1.331 . . . . 0.0 110.19 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -130.38 -40.2 1.28 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.996 0.918 . . . . 0.0 110.308 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -60.15 -22.89 63.43 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.329 -0.857 . . . . 0.0 111.05 170.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -66.33 -13.66 60.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 0.0 113.12 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.02 -179.57 6.45 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.582 1.153 . . . . 0.0 110.97 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.1 t70 64.09 -25.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.706 2.802 . . . . 0.0 115.546 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.65 162.13 35.84 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.409 1.883 . . . . 0.0 108.407 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.25 1.096 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.222 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -73.41 160.43 31.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.885 -0.51 . . . . 0.0 109.804 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 45.11 37.63 2.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.293 1.837 . . . . 0.0 113.149 -173.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -70.1 178.79 2.6 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.206 1.403 . . . . 0.0 110.909 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 79' ' ' VAL . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 76' ' ' LEU . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -58.49 -40.82 83.84 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.4 m -69.23 -10.22 56.76 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.778 1.231 . . . . 0.0 114.007 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -101.48 -39.29 7.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.431 1.014 . . . . 0.0 110.116 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.86 -39.91 93.54 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.788 0.835 . . . . 0.0 110.675 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -159.49 -156.53 0.52 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.181 2.192 . . . . 0.0 107.077 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 36.86 61.09 0.91 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.712 2.005 . . . . 0.0 113.063 169.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -54.26 -30.0 48.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.361 0.665 . . . . 0.0 112.406 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -145.87 164.61 31.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.059 1.344 . . . . 0.0 108.271 169.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.83 20.77 57.36 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 123.944 0.783 . . . . 0.0 112.288 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.6 -15.15 25.08 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.614 1.566 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.19 -13.77 5.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.269 1.028 . . . . 0.0 112.383 170.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.52 -29.61 62.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.187 0.903 . . . . 0.0 112.713 169.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 32.89 73.72 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.076 2.55 . . . . 0.0 113.921 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.19 179.42 5.67 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.907 1.241 . . . . 0.0 114.845 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -46.86 130.89 12.05 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.64 1.576 . . . . 0.0 112.163 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.22 -86.74 0.44 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 -169.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp -61.15 -41.31 96.52 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.82 -39.08 93.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.284 0.947 . . . . 0.0 111.432 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -68.91 -27.9 66.19 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.914 0.779 . . . . 0.0 112.548 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -141.08 74.5 1.46 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.755 1.222 . . . . 0.0 108.695 -171.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -62.91 152.48 36.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.302 -170.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -137.39 -40.16 0.58 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.969 1.308 . . . . 0.0 109.408 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.33 -20.08 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -171.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -125.46 -24.43 3.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.943 1.247 . . . . 0.0 111.756 169.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.67 -33.02 65.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.6 1.091 . . . . 0.0 111.421 171.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -57.21 -30.45 64.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -73.27 -42.79 62.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 118.981 0.809 . . . . 0.0 110.077 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.57 -40.7 97.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.73 0.412 . . . . 0.0 110.289 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.76 -15.87 44.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.84 1.256 . . . . 0.0 112.831 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -61.25 -26.39 67.72 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.361 0.982 . . . . 0.0 111.716 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -96.37 105.65 17.76 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' A' ' 155' ' ' LYS . 1.5 pt? -151.52 167.79 26.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.836 1.254 . . . . 0.0 109.729 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -11.03 58.95 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -172.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LYS . . . . . 0.465 ' H ' ' HG ' ' A' ' 153' ' ' LEU . 14.5 mmmm -78.74 43.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.17 1.388 . . . . 0.0 111.296 -177.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.3 p -65.84 176.3 1.65 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.155 0.982 . . . . 0.0 109.004 169.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.33 -34.39 57.28 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.485 -0.76 . . . . 0.0 111.736 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.63 -21.35 60.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.46 1.104 . . . . 0.0 113.297 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -129.4 24.06 5.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.179 1.392 . . . . 0.0 110.82 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.25 1.119 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 171.069 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -66.48 -33.34 75.48 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.779 -0.576 . . . . 0.0 112.109 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -50.16 127.32 16.64 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.706 1.202 . . . . 0.0 110.318 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 56.75 -52.18 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.216 2.606 . . . . 0.0 115.196 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' HB1' ' A' ' 18' ' ' ALA . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 45' ' ' LEU . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 37' ' ' LEU . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 29' ' ' PHE . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' VAL . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.53 -39.53 88.19 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 m -65.61 -43.49 89.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.084 0.554 . . . . 0.0 111.498 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -65.38 -43.74 89.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.843 0.747 . . . . 0.0 110.503 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -68.21 -31.55 71.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.367 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.48 -93.71 0.11 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.985 1.266 . . . . 0.0 112.316 177.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 39.3 51.98 2.15 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.224 1.81 . . . . 0.0 114.04 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -79.14 61.51 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 108.709 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 t30 37.41 62.49 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.272 2.629 . . . . 0.0 114.175 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 154.97 -31.22 0.66 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.534 1.064 . . . . 0.0 111.079 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m -58.31 144.2 42.19 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 112.548 -178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -149.79 142.4 24.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -153.42 -40.55 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.134 0.879 . . . . 0.0 112.293 171.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -86.69 40.76 0.91 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.042 0.937 . . . . 0.0 109.095 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.09 -10.11 10.08 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.192 1.377 . . . . 0.0 113.204 -172.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.26 -36.36 75.36 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.165 0.982 . . . . 0.0 113.134 -169.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.67 -38.99 7.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.67 -38.47 86.87 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.44 -37.66 84.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.474 0.579 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -77.84 -14.99 59.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.564 -0.732 . . . . 0.0 112.853 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.55 159.86 23.66 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.531 1.06 . . . . 0.0 110.619 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.45 -25.02 64.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.533 1.133 . . . . 0.0 112.797 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.39 123.7 18.08 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.406 1.482 . . . . 0.0 107.164 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.37 7.02 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 112.824 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 47.4 tttp 42.61 57.69 3.4 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.826 2.051 . . . . 0.0 112.271 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.38 65.02 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.706 1.602 . . . . 0.0 110.823 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.84 -5.3 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.737 1.615 . . . . 0.0 114.512 -172.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.92 -23.27 67.17 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.094 0.558 . . . . 0.0 110.472 169.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.02 175.88 5.25 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.462 1.905 . . . . 0.0 108.214 171.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.41 134.73 50.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.94 -26.51 62.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.073 -171.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -136.34 49.6 2.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 109.137 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 57.2 tp -51.6 119.78 4.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.585 1.154 . . . . 0.0 110.417 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.09 158.6 33.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.566 0.746 . . . . 0.0 110.392 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -150.07 158.09 43.8 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.268 1.427 . . . . 0.0 107.461 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.5 p -58.57 -41.14 85.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.562 1.145 . . . . 0.0 111.249 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 66.1 tp -153.54 140.31 19.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.711 1.604 . . . . 0.0 107.002 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.45 164.83 36.77 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.848 1.259 . . . . 0.0 107.779 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.77 8.73 3.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.637 1.175 . . . . 0.0 113.091 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.042 1.737 . . . . 0.0 107.618 -179.306 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -124.02 138.88 54.39 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.685 0.675 . . . . 0.0 111.465 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -159.59 148.35 17.78 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.064 1.746 . . . . 0.0 107.382 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.79 154.86 33.45 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 170.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 37' ' ' LEU . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.49 -48.49 79.1 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -72.37 -11.38 60.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.994 1.318 . . . . 0.0 113.111 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -87.1 -47.43 8.91 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.264 -0.897 . . . . 0.0 109.872 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -75.58 -50.77 14.55 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.156 -169.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 -22.96 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -169.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.8 ttp-105 -94.25 15.05 18.35 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.687 1.585 . . . . 0.0 112.585 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -48.44 -34.77 11.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.192 0.997 . . . . 0.0 113.642 -169.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -144.86 52.63 1.22 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.079 0.952 . . . . 0.0 108.66 168.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.03 16.29 5.28 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.58 1.086 . . . . 0.0 112.603 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -59.23 -6.54 0.96 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.699 1.6 . . . . 0.0 114.418 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -60.54 -17.66 47.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.905 0.882 . . . . 0.0 111.592 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -136.69 169.48 17.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.359 1.464 . . . . 0.0 108.188 170.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -64.45 -31.06 72.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.991 1.716 . . . . 0.0 113.417 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.5 -172.55 36.14 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -147.41 149.76 33.34 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.354 1.061 . . . . 0.0 109.417 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.81 -54.69 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.156 1.36 . . . . 0.0 111.95 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.37 -31.2 72.3 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.88 -26.69 48.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.447 1.099 . . . . 0.0 112.16 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -72.52 -28.24 62.74 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.691 -0.631 . . . . 0.0 111.827 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.91 162.85 24.75 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.944 0.897 . . . . 0.0 109.442 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.32 159.77 25.99 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.83 144.02 31.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.556 1.142 . . . . 0.0 108.173 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.21 120.65 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -63.01 -16.95 61.56 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.69 61.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.83 0.852 . . . . 0.0 111.203 169.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.51 -36.64 76.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.781 0.719 . . . . 0.0 110.769 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.41 -38.46 90.01 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.125 0.42 . . . . 0.0 110.795 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.69 -50.74 63.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.959 0.904 . . . . 0.0 110.182 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.52 110.86 3.48 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 108.587 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.39 135.8 52.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -154.17 165.24 36.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.501 1.12 . . . . 0.0 109.252 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.85 -2.89 22.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.18 156.43 31.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.038 0.836 . . . . 0.0 109.639 173.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -77.63 161.42 27.82 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 121.694 -0.629 . . . . 0.0 110.066 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 p -140.24 169.1 18.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.685 1.594 . . . . 0.0 108.01 172.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 76.3 mt 55.79 31.34 17.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.256 1.422 . . . . 0.0 111.944 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.53 145.17 55.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.488 0.715 . . . . 0.0 109.955 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -141.04 6.15 1.96 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.146 1.379 . . . . 0.0 112.058 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.936 1.244 . . . . 0.0 110.423 -179.502 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -143.47 171.55 14.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.178 1.391 . . . . 0.0 108.657 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -74.41 45.22 0.22 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.674 1.99 . . . . 0.0 109.964 169.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -50.8 -36.36 36.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.206 1.403 . . . . 0.0 114.516 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.424 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' GLN . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' LEU . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' LYS . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' HB2' HD11 ' A' ' 133' ' ' ILE . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -50.24 -56.58 10.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.5 m -72.53 -40.08 67.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.348 0.659 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.251 0.62 . . . . 0.0 111.988 -171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -137.53 -26.8 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -172.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -22.67 62.34 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 120.543 1.519 . . . . 0.0 112.774 -169.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -58.2 -11.23 2.46 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -50.1 -34.99 23.77 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.633 1.106 . . . . 0.0 111.692 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -154.12 -24.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.96 66.57 3.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 m -65.53 12.49 0.05 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.811 2.044 . . . . 0.0 114.824 -173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -140.83 145.43 36.24 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.124 1.77 . . . . 0.0 106.494 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.08 132.93 28.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.822 1.249 . . . . 0.0 110.244 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -56.23 -23.31 35.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.522 1.129 . . . . 0.0 112.782 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.4 -104.13 0.39 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.621 1.581 . . . . 0.0 112.114 169.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -46.72 -36.99 7.78 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.184 1.794 . . . . 0.0 113.36 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 -31.75 45.88 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.9 -33.23 75.53 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 47.36 41.68 12.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.473 1.509 . . . . 0.0 112.595 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.7 mttp 50.78 30.51 5.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.77 1.628 . . . . 0.0 113.539 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -65.68 -27.78 68.6 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.429 -0.794 . . . . 0.0 111.844 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -61.54 175.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.774 1.23 . . . . 0.0 111.694 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 14.5 tp 81.93 13.29 0.59 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.615 2.766 . . . . 0.0 111.794 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.73 -31.04 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.264 -0.898 . . . . 0.0 111.452 169.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.97 -20.63 17.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 113.28 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -129.54 20.63 5.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.155 1.382 . . . . 0.0 111.035 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -135.66 -13.58 1.96 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.12 0.968 . . . . 0.0 111.906 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.09 164.66 30.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.416 1.486 . . . . 0.0 108.063 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.94 96.28 1.27 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.92 125.36 22.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.976 0.91 . . . . 0.0 110.323 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.96 45.23 19.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.954 1.702 . . . . 0.0 112.967 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.39 142.86 20.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.623 0.769 . . . . 0.0 111.066 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.2 tp -152.18 -51.56 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.236 1.015 . . . . 0.0 109.815 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.46 163.61 36.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.663 1.585 . . . . 0.0 106.834 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -57.02 -23.01 43.18 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.8 p -63.3 -15.57 57.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.829 1.252 . . . . 0.0 112.539 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 16.2 tp -124.04 17.75 9.25 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.324 1.85 . . . . 0.0 109.929 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.13 155.69 19.99 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.12 -13.69 29.38 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.365 1.066 . . . . 0.0 111.833 176.471 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -138.61 174.5 10.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.024 1.73 . . . . 0.0 107.577 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -52.0 112.77 0.84 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 112.128 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.18 -34.28 73.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.599 0.76 . . . . 0.0 112.483 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 61' ' ' LEU . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 81' ' ' TYR . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 79' ' ' VAL . 59.1 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 75' ' ' GLN . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.433 ' CE2' HD23 ' A' ' 45' ' ' LEU . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.1 -55.43 31.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -62.94 -35.29 79.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.024 0.93 . . . . 0.0 111.751 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.4 -41.4 93.69 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.085 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -149.04 -37.85 0.16 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -170.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.68 -28.16 64.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.768 1.622 . . . . 0.0 111.594 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.63 -12.86 25.87 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -58.69 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.903 0.774 . . . . 0.0 112.095 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -134.46 -22.24 1.73 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.466 1.106 . . . . 0.0 112.895 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.48 -35.71 37.06 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.313 0.958 . . . . 0.0 114.118 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.9 m -68.91 -0.02 5.03 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.54 -26.09 53.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.364 0.984 . . . . 0.0 111.807 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -141.93 170.35 15.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.384 1.074 . . . . 0.0 108.711 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.42 -31.95 68.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.467 1.907 . . . . 0.0 112.215 -174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.38 161.01 29.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.11 171.07 19.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.874 1.67 . . . . 0.0 107.641 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.84 -100.72 0.1 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 125.479 1.514 . . . . 0.0 111.422 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.6 -42.12 98.27 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.72 121.92 9.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.932 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -149.33 154.55 39.15 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 106.735 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -127.41 -25.58 3.17 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.12 -41.26 90.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.341 0.518 . . . . 0.0 110.607 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 49.7 tp -80.83 149.22 29.63 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 149.27 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 110.929 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -131.84 3.59 4.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.696 1.199 . . . . 0.0 112.229 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.51 9.11 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 128.018 2.527 . . . . 0.0 106.104 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.55 134.2 23.51 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.43 -0.794 . . . . 0.0 111.068 173.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -162.7 151.97 15.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.098 2.159 . . . . 0.0 107.142 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.92 -39.22 63.98 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 57.3 tp -72.47 -33.19 66.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.07 0.85 . . . . 0.0 109.657 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.0 -8.42 29.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.739 1.216 . . . . 0.0 112.869 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -51.83 126.03 16.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.746 1.157 . . . . 0.0 112.463 -175.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.0 166.57 32.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.984 1.714 . . . . 0.0 108.487 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.12 -27.33 63.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -172.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.89 -8.78 5.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.23 1.012 . . . . 0.0 113.132 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.3 p -63.07 -21.15 65.97 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.206 0.912 . . . . 0.0 111.582 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -138.58 -41.01 0.5 Allowed 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.792 1.237 . . . . 0.0 110.648 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.91 129.37 41.51 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.97 0.908 . . . . 0.0 110.613 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -144.17 158.74 43.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.266 1.827 . . . . 0.0 107.667 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 C--O 1.247 0.929 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 176.396 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.96 167.07 22.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.281 1.432 . . . . 0.0 109.115 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -74.97 51.14 0.49 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.071 2.148 . . . . 0.0 109.689 169.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -51.25 -34.68 33.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.609 1.564 . . . . 0.0 113.829 -169.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.489 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.471 HH12 ' HB3' ' A' ' 84' ' ' ALA . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.537 ' HA ' HG22 ' A' ' 79' ' ' VAL . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' HH12 ' A' ' 58' ' ' ARG . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.27 -36.24 82.48 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -63.69 -41.57 98.12 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.35 -44.89 93.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.64 0.655 . . . . 0.0 111.24 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -82.69 -33.86 27.53 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.168 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -141.15 -41.02 0.39 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.52 1.055 . . . . 0.0 113.774 -169.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -106.15 63.65 0.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.063 0.945 . . . . 0.0 109.619 -169.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.33 -33.13 12.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.194 0.998 . . . . 0.0 112.612 -174.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -145.86 165.58 28.47 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.986 1.314 . . . . 0.0 107.923 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 82.59 29.31 36.23 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -61.44 -8.02 3.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.374 1.87 . . . . 0.0 115.137 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -77.97 52.31 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.883 1.273 . . . . 0.0 110.421 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -150.98 158.03 43.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 126.135 1.774 . . . . 0.0 108.213 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -137.44 118.5 14.38 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.9 178.76 53.55 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -52.1 130.1 29.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.643 0.777 . . . . 0.0 110.3 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.71 -81.79 0.29 Allowed Glycine 0 C--N 1.332 0.323 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 -169.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 79' ' ' VAL . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.61 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.43 -47.37 86.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.2 -52.42 65.76 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -64.96 -38.08 89.79 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.394 0.997 . . . . 0.0 110.713 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -63.99 -39.52 94.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.022 0.529 . . . . 0.0 111.323 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.07 -38.91 56.51 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.041 -0.412 . . . . 0.0 111.534 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.69 -41.85 91.64 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.114 0.965 . . . . 0.0 111.842 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.18 -11.63 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.42 -26.93 68.96 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.714 1.143 . . . . 0.0 111.312 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.46 137.22 58.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.557 0.617 . . . . 0.0 109.518 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -162.16 161.0 27.84 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.423 1.089 . . . . 0.0 108.557 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.0 t0 44.14 48.84 7.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.236 1.814 . . . . 0.0 113.426 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.7 120.09 9.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.66 -56.97 5.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.138 0.575 . . . . 0.0 110.228 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 38.6 47.77 1.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.783 2.033 . . . . 0.0 113.286 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.26 153.76 43.12 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.497 -0.752 . . . . 0.0 110.32 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.93 -43.42 94.97 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.209 1.003 . . . . 0.0 111.068 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.18 136.26 46.39 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.021 0.528 . . . . 0.0 109.662 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.5 117.52 6.85 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -42.58 86.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.044 0.938 . . . . 0.0 111.147 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 64.2 tp -157.44 141.46 16.07 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.988 1.715 . . . . 0.0 106.647 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.57 -35.92 60.51 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.64 152.46 42.17 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.624 0.77 . . . . 0.0 109.896 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.247 0.954 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.294 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -156.72 143.47 18.54 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.665 1.186 . . . . 0.0 108.772 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -158.05 112.7 2.61 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 169.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -49.41 -46.36 47.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 37' ' ' LEU . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 81' ' ' TYR . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CE2' HD23 ' A' ' 45' ' ' LEU . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.27 -35.27 67.26 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -65.57 -14.02 60.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.627 0.771 . . . . 0.0 112.546 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -110.12 -43.91 3.86 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 125.341 1.456 . . . . 0.0 110.678 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -83.06 -12.89 56.75 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -142.4 59.63 1.45 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.385 1.474 . . . . 0.0 108.155 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -55.94 154.35 7.49 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.639 -0.663 . . . . 0.0 109.749 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -58.03 -35.8 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.854 0.461 . . . . 0.0 110.994 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -145.22 128.95 17.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.03 -1.99 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.796 -1.002 . . . . 0.0 113.796 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 m -145.69 165.9 27.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.815 1.308 . . . . 0.0 110.506 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -137.01 -8.45 1.8 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.062 0.945 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.15 141.04 54.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.169 1.35 . . . . 0.0 109.811 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.11 -11.84 59.39 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -171.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.73 28.06 67.48 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 119.644 1.111 . . . . 0.0 111.673 -169.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -75.77 75.2 2.73 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.307 1.443 . . . . 0.0 110.857 -172.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -160.29 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 124.254 0.93 . . . . 0.0 110.817 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.96 -31.82 72.2 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -15.38 26.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.59 -21.84 64.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.455 1.025 . . . . 0.0 111.716 172.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.37 163.79 8.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.893 0.877 . . . . 0.0 110.736 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -136.16 157.57 46.5 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.3 1.44 . . . . 0.0 109.177 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 tp -148.29 161.95 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.228 1.411 . . . . 0.0 108.522 -171.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.5 t 56.49 45.33 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.289 1.036 . . . . 0.0 109.68 -173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -61.42 -17.62 55.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.824 0.85 . . . . 0.0 112.929 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.93 156.5 45.49 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.693 1.597 . . . . 0.0 107.792 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -67.61 -33.66 75.43 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.361 0.264 . . . . 0.0 111.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -162.98 167.57 22.32 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.562 1.945 . . . . 0.0 106.948 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.49 -39.68 58.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.274 0.943 . . . . 0.0 111.074 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.09 -29.78 69.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.928 0.891 . . . . 0.0 112.259 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.55 -29.68 23.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.424 0.689 . . . . 0.0 110.655 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.57 -51.18 45.48 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.023 0.929 . . . . 0.0 111.732 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -19.39 64.4 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.86 0.754 . . . . 0.0 112.306 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.38 -6.37 53.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.206 1.002 . . . . 0.0 111.816 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -129.84 -17.54 3.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.186 0.994 . . . . 0.0 112.565 -170.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.9 p -58.95 155.97 12.41 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.44 1.018 . . . . 0.0 111.503 173.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -64.2 171.58 2.94 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.942 0.897 . . . . 0.0 111.56 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -144.94 157.89 43.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.458 1.503 . . . . 0.0 107.835 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 159' ' ' LYS . 0.0 OUTLIER -60.98 -23.42 65.36 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.248 0.975 0 C-N-CA 124.1 0.96 . . . . 0.0 109.663 179.113 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.434 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG21 HD13 ' A' ' 129' ' ' ILE . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.444 HD13 HG21 ' A' ' 79' ' ' VAL . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.41 HG23 HH12 ' A' ' 58' ' ' ARG . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.41 HH12 HG23 ' A' ' 55' ' ' THR . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 79' ' ' VAL . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 76' ' ' LEU . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 129' ' ' ILE . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 HD12 ' A' ' 133' ' ' ILE . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 133' ' ' ILE . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.93 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 79' ' ' VAL . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt . . . . . 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 48' ' ' PHE . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 37' ' ' LEU . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' LEU . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 67' ' ' SER . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 79' ' ' VAL . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 76' ' ' LEU . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.553 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 HD22 ' A' ' 64' ' ' ASN . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.502 HD22 HD11 ' A' ' 10' ' ' ILE . 48.4 t30 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 129' ' ' ILE . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 126' ' ' ILE . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 HH12 ' A' ' 58' ' ' ARG . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 HH12 HG23 ' A' ' 55' ' ' THR . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.594 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.594 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' A' ' 79' ' ' VAL . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 129' ' ' ILE . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.642 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.457 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' A' ' 48' ' ' PHE . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 22' ' ' LEU . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.417 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 129' ' ' ILE . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 79' ' ' VAL . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 99' ' ' LEU . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 118.594 -0.717 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 53' ' ' LYS . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' LEU . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 CA-C-O 119.393 -0.671 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 129' ' ' ILE . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 126' ' ' ILE . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 37' ' ' LEU . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE2' ' A' ' 33' ' ' TYR . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' A' ' 64' ' ' ASN . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 7' ' ' ILE . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 10' ' ' ILE . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' VAL . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 76' ' ' LEU . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 133' ' ' ILE . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 133' ' ' ILE . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 133' ' ' ILE . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.994 -0.337 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.417 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 99' ' ' LEU . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 79' ' ' VAL . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 76' ' ' LEU . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.343 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp . . . . . 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' HB1' ' A' ' 18' ' ' ALA . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 45' ' ' LEU . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 37' ' ' LEU . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 29' ' ' PHE . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' VAL . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 37' ' ' LEU . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 CA-C-O 119.078 -0.845 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.424 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' GLN . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' LEU . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' LYS . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' HB2' HD11 ' A' ' 133' ' ' ILE . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 61' ' ' LEU . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 81' ' ' TYR . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 79' ' ' VAL . 59.1 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 75' ' ' GLN . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.433 ' CE2' HD23 ' A' ' 45' ' ' LEU . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.489 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 HH12 ' HB3' ' A' ' 84' ' ' ALA . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.537 ' HA ' HG22 ' A' ' 79' ' ' VAL . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' HH12 ' A' ' 58' ' ' ARG . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.311 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 79' ' ' VAL . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.61 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 37' ' ' LEU . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 81' ' ' TYR . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CE2' HD23 ' A' ' 45' ' ' LEU . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.529 -0.174 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -20.5 32.84 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -57.71 139.45 53.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 109.378 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.15 172.13 18.96 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.8 1.64 . . . . 0.0 109.284 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -60.15 -35.72 75.94 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.93 -47.4 68.83 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 119.051 0.841 . . . . 0.0 108.775 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.88 -35.58 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.671 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.92 -38.49 91.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.777 1.172 . . . . 0.0 111.103 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -46.5 89.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.751 0.82 . . . . 0.0 109.812 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.57 -51.99 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.67 -40.66 92.9 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.193 0.906 . . . . 0.0 110.913 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -61.4 -52.78 63.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.908 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -60.62 -44.81 95.91 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.907 1.23 . . . . 0.0 111.106 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.25 -54.56 41.94 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -61.4 -36.43 80.28 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.887 -177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 72.3 mtm -63.82 -47.32 81.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.443 1.02 . . . . 0.0 113.278 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -74.37 -28.78 61.27 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.633 0.773 . . . . 0.0 111.443 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.04 151.11 46.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.776 2.031 . . . . 0.0 112.83 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.7 136.29 85.69 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.925 168.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.04 -29.3 21.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.611 2.874 . . . . 0.0 115.769 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -61.03 -22.94 65.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.849 0.749 . . . . 0.0 112.175 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.26 -17.38 49.64 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.875 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -60.03 -46.45 98.05 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.609 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.87 -43.01 61.2 Favored 'Trans proline' 0 C--N 1.352 0.713 0 CA-C-N 122.415 1.898 . . . . 0.0 112.385 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.166 0.587 . . . . 0.0 111.089 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.83 -26.4 63.27 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.752 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -44.52 96.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.054 1.297 . . . . 0.0 110.475 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -71.09 -41.23 70.92 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.645 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.53 -45.44 81.16 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.993 0.815 . . . . 0.0 110.132 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.76 -54.31 48.33 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.122 0.969 . . . . 0.0 110.195 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -33.91 75.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.974 -0.536 . . . . 0.0 110.986 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.14 -43.52 74.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.638 1.108 . . . . 0.0 110.624 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -63.81 -38.28 90.53 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 120.165 1.348 . . . . 0.0 110.181 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -57.97 -38.65 76.46 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.582 0.628 . . . . 0.0 110.802 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -87.56 9.94 19.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.013 1.725 . . . . 0.0 112.512 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.271 42.3 pttt 48.1 26.76 1.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.588 2.355 . . . . 0.0 114.01 -172.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 67.95 5.81 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.02 1.328 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -51.82 -36.71 48.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.334 1.454 . . . . 0.0 112.444 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.47 -42.37 61.98 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.577 -0.702 . . . . 0.0 110.814 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -74.41 -33.87 63.11 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.064 -1.022 . . . . 0.0 110.185 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 tp -56.74 -43.95 81.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.462 1.105 . . . . 0.0 110.353 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -65.98 -40.21 91.03 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.238 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.61 -35.54 81.11 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 120.03 1.286 . . . . 0.0 110.32 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -63.6 -44.28 94.48 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.955 -0.465 . . . . 0.0 110.493 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.37 -32.52 73.98 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.636 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 m -68.8 -40.68 79.46 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.214 0.915 . . . . 0.0 110.036 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.28 -37.9 89.05 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.15 -0.969 . . . . 0.0 110.349 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.41 -43.45 85.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.471 0.578 . . . . 0.0 109.869 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.24 -31.65 72.23 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.77 1.228 . . . . 0.0 112.176 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.26 -0.35 9.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.211 1.005 . . . . 0.0 112.459 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -130.96 171.94 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.323 1.849 . . . . 0.0 108.975 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.7 16.65 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 112.623 -171.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -41.34 44.02 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.118 0.967 . . . . 0.0 112.256 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -151.33 43.44 0.77 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.121 0.969 . . . . 0.0 110.777 -169.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 75.3 m -42.61 -48.39 13.06 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -172.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 58.7 Cg_exo -49.65 -25.15 10.69 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.819 3.012 . . . . 0.0 116.584 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.26 -31.47 67.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.209 1.368 . . . . 0.0 110.699 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.6 mtm-85 -60.45 -24.21 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.226 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -45.61 69.1 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.134 0.879 . . . . 0.0 109.767 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -60.18 -44.67 94.88 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -51.96 67.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.215 1.406 . . . . 0.0 109.227 -175.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.37 -54.17 48.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.287 0.494 . . . . 0.0 111.097 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.89 -24.99 65.29 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -168.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -128.72 -14.34 4.58 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -169.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -125.56 -58.27 1.43 Allowed 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.913 0.779 . . . . 0.0 109.83 -169.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 69' ' ' PHE . 28.4 t -63.96 -29.5 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.382 0.992 . . . . 0.0 109.702 177.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -52.67 -23.58 6.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.264 1.026 . . . . 0.0 113.588 172.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.34 -22.58 61.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.325 0.966 . . . . 0.0 112.628 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 39.5 p90 -147.12 12.99 1.1 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.803 1.183 . . . . 0.0 113.278 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -56.31 -30.14 62.16 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.089 -1.007 . . . . 0.0 113.582 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.09 -18.65 60.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.578 1.151 . . . . 0.0 113.007 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.94 -11.8 58.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.465 1.106 . . . . 0.0 112.136 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -134.25 173.57 14.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.901 0.881 . . . . 0.0 111.0 -169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -62.38 131.24 48.59 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.585 0.754 . . . . 0.0 111.51 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -57.87 -58.69 7.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.981 0.913 . . . . 0.0 109.873 -175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.01 -32.37 54.06 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 116.93 -1.51 . . . . 0.0 112.131 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -58.77 -55.54 33.78 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 121.111 1.778 . . . . 0.0 110.602 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.45 -41.97 92.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.731 0.696 . . . . 0.0 110.664 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG21 HD13 ' A' ' 129' ' ' ILE . 4.1 t -66.81 -39.15 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.022 -0.99 . . . . 0.0 108.67 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -60.57 -36.58 78.86 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.95 1.704 . . . . 0.0 112.312 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -62.83 -43.76 97.94 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 119.225 0.92 . . . . 0.0 109.212 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.34 -35.63 80.86 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.665 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.61 -60.93 2.74 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 119.943 1.247 . . . . 0.0 107.945 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.0 91.4 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 118.984 0.811 . . . . 0.0 111.688 -169.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 p -69.13 -44.74 71.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.336 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 tp -86.2 -14.73 43.1 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.371 -0.831 . . . . 0.0 112.711 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -80.39 -38.1 30.95 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.727 0.811 . . . . 0.0 109.435 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.77 -32.53 67.77 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.734 0.414 . . . . 0.0 111.118 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -56.39 144.65 30.01 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.372 0.669 . . . . 0.0 109.906 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.38 58.37 4.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.916 0.887 . . . . 0.0 110.793 -169.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -145.46 -179.8 6.9 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.883 1.673 . . . . 0.0 107.563 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -153.54 -29.35 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.876 1.27 . . . . 0.0 111.182 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.97 -39.18 63.87 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.878 0.763 . . . . 0.0 109.799 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.44 -41.49 98.77 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m -61.6 -47.94 83.19 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.648 0.779 . . . . 0.0 110.775 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.58 -52.59 59.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.974 1.31 . . . . 0.0 110.239 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.04 -48.02 77.92 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.075 -177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.92 -42.22 94.89 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.113 0.565 . . . . 0.0 111.261 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.84 -37.21 64.91 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.71 -40.25 95.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.482 0.583 . . . . 0.0 111.112 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.5 -40.08 89.06 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.493 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.0 tp -66.01 -38.78 89.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.561 -0.712 . . . . 0.0 110.162 174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -43.25 84.6 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.412 -0.805 . . . . 0.0 109.484 169.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.85 82.12 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.998 0.817 . . . . 0.0 111.172 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -58.01 -45.72 86.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.297 0.953 . . . . 0.0 110.07 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -68.62 -32.75 72.84 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.722 -0.611 . . . . 0.0 112.354 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.91 -33.57 73.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.078 0.551 . . . . 0.0 110.792 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -79.92 -35.0 38.49 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.276 0.63 . . . . 0.0 111.349 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.56 -21.24 61.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.641 0.776 . . . . 0.0 112.17 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -49.98 -49.14 51.46 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.938 1.295 . . . . 0.0 112.601 -169.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 m -65.34 -27.19 68.42 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.53 -0.731 . . . . 0.0 112.846 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -82.03 -34.02 29.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.785 0.834 . . . . 0.0 109.885 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.36 -39.19 82.47 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.589 0.755 . . . . 0.0 109.121 173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 123.6 148.23 0.0 OUTLIER 'General case' 0 C--O 1.233 0.212 1 C-N-CA 131.92 4.088 . . . . 0.0 110.062 168.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -151.9 159.1 43.93 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.301 1.041 . . . . 0.0 111.624 -169.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -147.56 170.96 16.35 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 128.279 2.631 . . . . 0.0 104.735 168.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.95 115.21 3.87 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.002 -1.061 . . . . 0.0 108.768 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.89 50.89 14.22 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.774 1.178 . . . . 0.0 112.891 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 p -55.7 167.85 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.91 0.884 . . . . 0.0 111.245 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -49.98 -34.51 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.278 1.031 . . . . 0.0 111.332 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -130.3 141.1 50.62 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 168.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -147.37 18.34 1.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.902 1.681 . . . . 0.0 109.95 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.7 24.91 1.18 Allowed Glycine 0 C--N 1.341 0.848 0 C-N-CA 124.739 1.161 . . . . 0.0 112.157 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.28 -39.31 78.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.757 1.779 . . . . 0.0 112.118 -171.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.78 -49.41 63.78 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.2 pt -70.58 -24.0 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 118.152 0.976 . . . . 0.0 112.797 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.09 -40.5 90.85 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 120.225 1.375 . . . . 0.0 110.077 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.51 -46.92 80.87 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.774 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.444 HD13 HG21 ' A' ' 79' ' ' VAL . 50.6 mt -58.99 -42.74 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 119.325 0.966 . . . . 0.0 109.244 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.16 -37.48 87.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.43 0.692 . . . . 0.0 111.427 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.0 m -68.92 -37.18 78.77 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.766 0.426 . . . . 0.0 110.75 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.09 -47.91 63.98 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.928 0.891 . . . . 0.0 109.405 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.7 pp -71.24 -29.65 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.354 -0.841 . . . . 0.0 111.079 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.96 96.53 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.812 1.187 . . . . 0.0 110.453 169.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -59.0 -41.53 87.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.805 0.729 . . . . 0.0 110.196 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 50.2 m -61.36 -46.47 90.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.756 0.707 . . . . 0.0 110.007 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.93 -35.33 80.33 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.517 -0.74 . . . . 0.0 111.499 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.21 -44.51 68.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.067 0.947 . . . . 0.0 110.039 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.48 -35.03 71.57 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.552 -0.718 . . . . 0.0 110.83 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.27 21.79 9.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.954 1.302 . . . . 0.0 111.675 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -55.37 141.06 37.61 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.025 0.93 . . . . 0.0 110.434 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.54 -41.79 83.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.289 1.036 . . . . 0.0 112.584 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.24 139.28 11.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.08 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 125.11 1.364 . . . . 0.0 112.278 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.0 tttm 30.13 -106.19 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.578 2.751 . . . . 0.0 110.87 -172.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.53 173.23 16.93 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 126.28 1.832 . . . . 0.0 107.156 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.36 -15.72 11.67 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -46.21 -32.11 2.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.012 1.725 . . . . 0.0 112.639 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.51 46.7 2.0 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.935 0.894 . . . . 0.0 108.839 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.66 -37.98 19.91 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.932 1.293 . . . . 0.0 112.979 -173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -64.39 -26.09 68.31 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.318 1.047 . . . . 0.0 113.268 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -150.73 50.63 0.87 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.421 1.105 . . . . 0.0 108.95 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.83 17.4 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.09 2.156 . . . . 0.0 115.416 -169.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.74 156.33 35.7 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.815 -1.178 . . . . 0.0 110.633 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -138.13 22.55 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.414 1.085 . . . . 0.0 110.652 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.6 p -55.54 -34.24 64.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.17 1.388 . . . . 0.0 111.507 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -151.0 174.18 13.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 126.692 1.997 . . . . 0.0 108.366 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -148.76 -47.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.774 0.83 . . . . 0.0 110.667 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -144.59 164.92 29.5 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 126.079 1.752 . . . . 0.0 108.111 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.25 1.08 0 C-N-CA 125.748 1.619 . . . . 0.0 109.862 -174.484 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.31 -8.18 59.37 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -169.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -54.28 135.24 44.75 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.442 1.019 . . . . 0.0 111.775 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -154.49 166.75 32.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.248 1.819 . . . . 0.0 107.62 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -54.56 -41.46 69.82 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.91 1.684 . . . . 0.0 112.946 -174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -70.67 -33.8 71.32 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.631 -0.668 . . . . 0.0 110.921 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.11 -47.55 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.3 -39.27 94.11 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.57 0.748 . . . . 0.0 112.084 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.53 -39.03 74.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.314 0.506 . . . . 0.0 109.766 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.52 -48.23 85.86 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 119.142 0.883 . . . . 0.0 109.09 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.75 -41.98 98.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 119.211 0.914 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.6 m -67.01 -38.23 85.58 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.927 -0.483 . . . . 0.0 111.23 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -66.24 -43.28 87.0 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.694 0.679 . . . . 0.0 110.023 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.22 -50.44 73.64 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.177 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -42.34 99.19 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.095 1.316 . . . . 0.0 111.332 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.7 ptp -64.88 -34.78 79.19 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.636 1.107 . . . . 0.0 112.303 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.89 -32.27 20.29 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.407 0.683 . . . . 0.0 111.961 -174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.2 159.56 30.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 122.511 1.148 . . . . 0.0 113.655 -169.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -73.22 138.55 78.67 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.859 168.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.98 -28.31 13.29 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.804 3.003 . . . . 0.0 115.933 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -58.94 -23.61 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.117 0.872 . . . . 0.0 112.556 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.45 -15.23 43.66 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.268 1.027 . . . . 0.0 112.188 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -60.37 -44.56 96.24 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 116.59 -1.672 . . . . 0.0 112.477 -171.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -56.38 -38.18 95.69 Favored 'Trans proline' 0 C--N 1.351 0.679 0 CA-C-N 122.645 1.98 . . . . 0.0 113.459 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.3 -45.43 91.44 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 28.0 m-85 -80.36 -17.1 52.93 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -70.16 -42.59 72.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.017 1.28 . . . . 0.0 109.169 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -63.16 -45.88 89.76 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.954 -0.466 . . . . 0.0 109.825 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 56.1 t80 -56.93 -44.68 82.71 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.054 0.542 . . . . 0.0 110.244 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 33' ' ' TYR . 40.9 tt0 -57.02 -56.26 23.99 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.628 0.649 . . . . 0.0 110.54 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -57.3 -44.14 83.82 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -72.3 -34.65 68.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 117.038 -1.458 . . . . 0.0 112.795 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -63.47 -38.3 90.6 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 122.166 2.257 . . . . 0.0 109.039 174.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.44 -28.17 68.09 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.011 0.924 . . . . 0.0 111.866 -169.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.38 27.45 9.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.434 1.494 . . . . 0.0 110.441 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt 46.66 33.92 2.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.151 2.181 . . . . 0.0 113.468 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.59 54.84 3.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.433 1.893 . . . . 0.0 110.019 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -52.81 -38.76 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.912 -169.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -69.19 -36.74 77.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.68 0.673 . . . . 0.0 111.627 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -91.02 -22.63 20.68 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.865 -0.522 . . . . 0.0 110.714 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.62 -40.66 88.28 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 m -66.76 -40.45 88.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.448 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.98 -35.84 77.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.444 1.474 . . . . 0.0 110.63 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -68.72 -43.46 75.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.856 0.36 . . . . 0.0 110.163 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.57 -34.59 78.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.931 0.892 . . . . 0.0 110.737 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -72.87 -36.41 67.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.228 1.011 . . . . 0.0 110.862 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -64.18 -38.05 89.65 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.168 -0.957 . . . . 0.0 110.154 172.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.5 -42.43 98.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 110.77 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.94 -38.23 72.61 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.699 1.136 . . . . 0.0 112.086 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -74.69 -41.25 60.59 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.654 0.661 . . . . 0.0 111.456 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -65.72 -41.75 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.956 1.302 . . . . 0.0 112.198 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.06 21.4 2.08 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.087 2.155 . . . . 0.0 116.49 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.63 -39.81 65.27 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.536 1.517 . . . . 0.0 112.521 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -143.18 47.69 1.5 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.293 1.037 . . . . 0.0 109.768 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.41 HG23 HH12 ' A' ' 58' ' ' ARG . 1.0 OUTLIER -39.31 -47.22 4.23 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -178.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.95 -29.34 15.19 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.398 2.732 . . . . 0.0 116.363 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.13 -35.14 66.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.712 1.142 . . . . 0.0 111.172 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.41 HH12 HG23 ' A' ' 55' ' ' THR . 25.6 ttm105 -67.33 -12.88 61.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.436 1.095 . . . . 0.0 112.08 -172.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.13 -42.65 91.15 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 119.854 1.207 . . . . 0.0 110.187 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -61.55 -44.53 96.87 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.718 0.69 . . . . 0.0 109.969 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.551 1.541 . . . . 0.0 109.991 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.05 -50.03 67.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -56.68 -42.98 79.97 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -139.4 10.91 2.53 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -119.24 -55.42 2.15 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.483 1.038 . . . . 0.0 109.557 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.4 -23.71 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 119.068 0.849 . . . . 0.0 110.768 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 p -55.25 -31.85 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.206 1.002 . . . . 0.0 113.062 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.78 -14.83 63.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.311 -0.868 . . . . 0.0 112.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -141.12 33.74 1.73 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.602 1.561 . . . . 0.0 109.5 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -46.78 -41.7 15.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.736 2.414 . . . . 0.0 114.442 -170.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.55 3.45 11.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.224 1.01 . . . . 0.0 111.387 -176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -70.75 -26.46 63.37 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.304 1.041 . . . . 0.0 110.77 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.9 pt -126.62 168.39 19.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.74 1.216 . . . . 0.0 109.78 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -53.23 121.66 7.98 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.253 1.021 . . . . 0.0 111.247 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.65 -26.52 67.1 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.654 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 79' ' ' VAL . 75.0 mt -69.41 -29.44 67.16 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.31 0.959 . . . . 0.0 110.593 171.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 m -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 120.308 1.413 . . . . 0.0 110.592 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 119.002 0.819 . . . . 0.0 110.48 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 76' ' ' LEU . 34.8 m -66.77 -39.71 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 116.357 -1.782 . . . . 0.0 110.441 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -56.77 -37.02 70.49 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 122.404 2.366 . . . . 0.0 111.376 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.25 -52.72 57.34 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.05 -45.42 94.83 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.32 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.2 -60.65 3.03 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.628 1.971 . . . . 0.0 109.741 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.16 77.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.717 1.144 . . . . 0.0 111.091 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 m -70.65 -45.09 65.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -173.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 tp -81.26 -27.0 35.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.494 0.718 . . . . 0.0 112.048 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -66.79 -34.93 78.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.679 0.672 . . . . 0.0 109.546 170.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.29 -28.2 63.96 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.725 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.8 m -54.31 152.69 6.07 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.821 0.737 . . . . 0.0 111.214 169.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -2.04 0.47 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 118.04 2.608 . . . . 0.0 118.04 -169.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -153.31 114.66 4.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 121.158 1.799 . . . . 0.0 110.473 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -67.55 -12.14 59.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.733 0.813 . . . . 0.0 113.178 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.52 -32.82 72.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.567 1.076 . . . . 0.0 110.546 172.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.87 -36.85 83.25 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.556 -0.715 . . . . 0.0 109.914 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 m -62.68 -45.24 93.72 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.104 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.27 -54.66 40.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.351 1.061 . . . . 0.0 109.76 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -62.77 -50.35 71.39 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.964 0.347 . . . . 0.0 111.308 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.09 -38.82 91.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.143 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.76 -23.26 25.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 119.478 1.035 . . . . 0.0 110.274 -173.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.59 -44.2 82.83 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.639 1.109 . . . . 0.0 109.23 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -64.6 -45.62 86.16 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.765 0.426 . . . . 0.0 110.951 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.66 -37.44 86.53 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.875 -0.516 . . . . 0.0 110.981 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -56.66 -49.45 75.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.592 170.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.64 96.35 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 119.182 0.901 . . . . 0.0 110.797 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.33 -26.6 68.84 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.447 0.699 . . . . 0.0 112.168 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -84.54 -43.98 14.0 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.258 0.935 . . . . 0.0 110.346 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -53.39 -37.04 62.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.329 1.051 . . . . 0.0 112.729 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.41 -21.91 61.19 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.3 -27.19 18.56 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.612 1.165 . . . . 0.0 110.672 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.49 -34.52 78.4 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.133 0.573 . . . . 0.0 111.4 -169.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.9 p -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.902 0.881 . . . . 0.0 111.91 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -72.22 -44.32 63.11 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 120.841 -1.162 . . . . 0.0 109.269 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -74.21 -30.77 62.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.629 -1.177 . . . . 0.0 112.868 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -141.89 19.51 2.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -173.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.06 43.23 0.79 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.719 -1.238 . . . . 0.0 111.182 169.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.12 -34.37 56.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.417 0.687 . . . . 0.0 112.464 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -152.74 169.21 23.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.594 1.158 . . . . 0.0 108.936 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 71.94 59.91 4.48 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 m -53.81 117.0 2.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.092 1.357 . . . . 0.0 111.089 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.55 169.94 20.32 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 127.912 2.485 . . . . 0.0 106.153 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.41 135.64 50.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -141.2 -6.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -169.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.43 145.9 49.62 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 119.102 0.865 . . . . 0.0 111.89 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -155.5 139.92 16.78 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 125.759 1.624 . . . . 0.0 106.911 171.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.68 -54.44 2.92 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.333 0.968 . . . . 0.0 110.978 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.3 pt -61.33 -19.36 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 O-C-N 121.354 -1.086 . . . . 0.0 112.765 170.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.84 -34.19 75.07 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.901 1.682 . . . . 0.0 111.9 169.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.43 -46.79 78.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 171.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.89 -40.95 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.64 -44.16 96.7 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.931 0.892 . . . . 0.0 111.483 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.1 m -67.23 -38.51 85.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.115 0.566 . . . . 0.0 110.65 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -66.36 -50.21 64.31 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.861 0.864 . . . . 0.0 108.83 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.0 pp -69.98 -32.36 51.2 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.124 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 120.214 1.37 . . . . 0.0 110.244 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -64.99 -36.51 84.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.971 0.805 . . . . 0.0 110.908 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 42.1 m -60.39 -39.82 88.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.99 0.814 . . . . 0.0 111.001 175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -66.16 -43.28 87.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.402 -0.811 . . . . 0.0 110.162 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 18.8 tp -69.1 -20.37 64.07 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.657 0.783 . . . . 0.0 112.116 -177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.83 -16.55 1.03 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.733 1.613 . . . . 0.0 113.757 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -55.31 -22.16 17.81 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.481 -0.762 . . . . 0.0 112.602 169.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -141.15 -33.32 0.52 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.756 1.223 . . . . 0.0 112.23 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.09 143.79 25.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.762 1.165 . . . . 0.0 110.568 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.6 tp 62.71 -49.92 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.61 2.764 . . . . 0.0 113.517 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.57 -16.83 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.008 0.822 . . . . 0.0 112.066 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -47.72 -29.25 2.93 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.875 1.67 . . . . 0.0 113.532 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.58 -34.25 25.07 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.73 0.812 . . . . 0.0 112.173 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -151.14 73.49 1.1 Allowed 'General case' 0 C--O 1.232 0.184 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 169.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.22 142.09 38.65 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.08 103.98 0.67 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.1 -37.38 87.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.039 0.935 . . . . 0.0 113.448 -169.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.73 162.9 17.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.749 0.819 . . . . 0.0 111.49 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -54.98 132.27 46.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.35 1.06 . . . . 0.0 109.998 172.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.05 159.74 40.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.287 1.035 . . . . 0.0 108.634 -172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.82 -9.99 2.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.525 1.53 . . . . 0.0 113.395 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -55.04 -26.46 37.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.91 0.884 . . . . 0.0 111.781 169.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.9 m -54.62 124.03 15.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.404 1.082 . . . . 0.0 108.819 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 40.4 tp 62.59 -34.33 0.12 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 128.608 2.763 . . . . 0.0 114.585 -172.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -26.24 68.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.96 1.304 . . . . 0.0 112.456 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.68 59.85 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.169 1.388 . . . . 0.0 109.053 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.249 1.077 0 C-N-CA 124.538 1.135 . . . . 0.0 109.094 177.189 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.049 -0.501 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -128.92 158.19 39.48 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.23 0.612 . . . . 0.0 111.209 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -158.52 147.97 19.31 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.708 2.003 . . . . 0.0 106.03 169.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.04 152.69 30.78 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -64.5 -32.27 73.83 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -71.47 -34.25 70.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.366 0.985 . . . . 0.0 110.057 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.34 -50.03 78.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.5 -43.11 99.46 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.687 0.395 . . . . 0.0 111.379 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -70.66 -45.2 65.55 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.69 -53.68 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.72 -37.05 76.38 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.38 -169.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -69.94 -39.76 75.89 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.477 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -68.5 -47.13 67.8 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.531 1.059 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.15 -38.68 91.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.159 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -63.51 -45.11 92.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.922 1.237 . . . . 0.0 110.761 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ptp -64.75 -29.55 70.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 120.186 1.357 . . . . 0.0 111.428 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.1 -31.05 62.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.964 0.906 . . . . 0.0 112.249 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 157.26 33.22 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 122.64 1.209 . . . . 0.0 112.829 -169.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.6 140.73 89.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.857 169.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -47.62 -30.9 13.16 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.921 3.081 . . . . 0.0 115.603 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.41 -23.47 64.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.743 0.817 . . . . 0.0 112.429 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.3 -15.84 34.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -61.59 -42.57 84.65 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 117.111 -1.423 . . . . 0.0 113.148 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.76 -32.68 92.13 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.054 1.836 . . . . 0.0 113.029 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.13 -46.89 66.53 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.44 -23.86 64.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.15 -42.13 97.99 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.838 1.199 . . . . 0.0 109.197 169.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.05 -38.82 79.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.904 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.7 -48.69 79.63 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.701 1.137 . . . . 0.0 109.322 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -50.11 -59.05 4.29 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.093 0.957 . . . . 0.0 109.766 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -58.23 -60.12 4.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.157 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -66.24 -33.92 76.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.107 -1.425 . . . . 0.0 112.566 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.52 -49.96 73.28 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 121.307 1.867 . . . . 0.0 109.517 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -68.72 -12.61 61.63 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.23 14.07 21.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.658 1.583 . . . . 0.0 111.871 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttt 65.11 14.57 9.47 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.535 1.534 . . . . 0.0 113.641 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.2 mm? -83.97 64.83 8.35 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 120.484 -1.385 . . . . 0.0 109.813 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -46.7 -36.79 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.425 1.09 . . . . 0.0 112.404 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.17 -37.22 64.04 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.198 0.454 . . . . 0.0 112.201 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.93 -34.05 57.67 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.43 -1.418 . . . . 0.0 110.241 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 45.9 tp -58.4 -46.83 85.64 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.733 0.813 . . . . 0.0 111.266 169.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.9 p -70.66 -35.39 72.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.092 0.86 . . . . 0.0 111.527 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.12 -35.28 77.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.889 1.222 . . . . 0.0 110.547 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -51.26 67.63 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.2 -32.73 24.78 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.158 0.983 . . . . 0.0 112.785 169.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.4 m -75.05 -44.53 47.22 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.99 1.268 . . . . 0.0 110.67 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.65 -39.34 87.95 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.208 -0.933 . . . . 0.0 110.077 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.38 -48.02 77.06 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 110.206 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 t80 -58.09 -35.56 71.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.284 1.033 . . . . 0.0 112.448 178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.31 -5.75 15.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.346 1.058 . . . . 0.0 113.691 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.07 141.09 51.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.63 1.172 . . . . 0.0 108.691 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.37 62.35 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -59.44 -17.77 33.74 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.1 p -123.27 17.25 9.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.606 1.094 . . . . 0.0 113.417 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.275 94.8 m -58.05 -53.9 61.14 Favored Pre-proline 0 CA--C 1.551 1.011 0 O-C-N 120.805 -1.184 . . . . 0.0 112.425 -175.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 93.4 Cg_exo -61.95 -7.78 10.36 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.038 2.492 . . . . 0.0 116.419 169.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.22 -45.67 8.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.013 1.279 . . . . 0.0 109.982 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 9.9 ptp180 -63.48 -21.92 66.59 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.871 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -53.51 -49.83 66.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.079 0.951 . . . . 0.0 110.091 172.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -78.56 -30.5 46.88 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.898 -0.501 . . . . 0.0 111.405 -176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -47.42 85.7 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.7 -51.0 71.8 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.08 -1.013 . . . . 0.0 110.915 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -53.34 -44.2 68.3 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -168.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -143.57 15.36 1.8 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -125.68 -52.78 1.57 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.4 t -63.07 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 120.145 1.339 . . . . 0.0 110.779 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 p -50.84 -35.81 34.32 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.169 0.987 . . . . 0.0 112.885 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -71.65 -8.95 57.29 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.085 0.954 . . . . 0.0 112.164 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 31.5 p90 -148.17 25.71 1.0 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.354 1.061 . . . . 0.0 112.04 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -45.43 -54.94 6.66 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 112.564 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -94.38 -7.14 42.51 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.122 0.569 . . . . 0.0 111.9 -174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -73.05 -13.09 61.14 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.841 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 pt -126.81 177.12 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.149 0.979 . . . . 0.0 109.735 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -60.21 120.33 9.59 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.314 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -55.0 -60.62 3.12 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.621 0.768 . . . . 0.0 109.574 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.31 -13.36 27.94 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.188 -1.863 . . . . 0.0 113.598 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.6 m -70.04 -44.55 68.99 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 122.844 2.565 . . . . 0.0 109.636 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.67 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 119.035 0.834 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 129' ' ' ILE . 7.4 t -68.0 -38.06 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.225 -177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -58.94 -37.53 76.92 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 121.04 1.745 . . . . 0.0 111.96 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -61.28 -46.92 88.36 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.49 -41.75 99.03 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.387 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mp -53.48 -56.73 14.47 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.18 0.992 . . . . 0.0 109.752 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.5 83.39 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.581 0.628 . . . . 0.0 110.65 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -59.27 -43.44 92.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.491 0.494 . . . . 0.0 110.911 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.08 -34.49 64.02 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.016 0.927 . . . . 0.0 111.659 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -66.91 -44.26 81.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.226 0.466 . . . . 0.0 110.046 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.42 -33.3 75.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.84 0.746 . . . . 0.0 111.301 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 m -69.7 -1.68 9.73 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 48.48 30.02 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.828 2.051 . . . . 0.0 112.193 -170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -91.82 137.14 32.61 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.69 17.66 2.69 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.578 1.151 . . . . 0.0 110.737 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -128.11 -51.0 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.08 0.855 . . . . 0.0 109.562 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.07 -31.94 73.31 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.1 m -60.56 -36.06 77.55 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.925 0.89 . . . . 0.0 112.404 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 HD12 ' A' ' 133' ' ' ILE . 3.1 tm? -62.66 -49.06 76.62 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.55 -51.27 69.25 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.39 -50.13 74.79 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.741 1.216 . . . . 0.0 111.964 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 133' ' ' ILE . 6.7 mp -83.33 -28.79 28.78 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.731 -169.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.82 -41.67 82.69 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.078 0.854 . . . . 0.0 110.547 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.26 -43.39 81.98 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.363 0.529 . . . . 0.0 111.101 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.5 tp -67.73 -40.82 84.18 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.859 -0.525 . . . . 0.0 110.581 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.1 -48.79 73.11 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.65 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.346 -174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -58.47 -42.14 86.81 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.491 1.042 . . . . 0.0 111.008 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -67.19 -42.12 84.74 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-N 118.878 0.763 . . . . 0.0 111.18 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.418 HE22 ' CE1' ' A' ' 122' ' ' HIS . 39.1 tt0 -59.69 -31.19 69.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.133 0.573 . . . . 0.0 111.497 176.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -76.65 -45.22 30.76 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.317 1.047 . . . . 0.0 109.288 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.35 -42.51 87.09 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.474 0.579 . . . . 0.0 109.501 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.41 -34.29 74.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.97 0.508 . . . . 0.0 111.749 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 m -67.61 -34.16 76.44 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.12 -0.988 . . . . 0.0 110.808 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.96 -45.26 78.31 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.324 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -65.33 -42.16 93.2 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 117.414 -1.279 . . . . 0.0 110.628 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 119.0 171.45 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 131.654 3.982 . . . . 0.0 109.941 172.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.61 149.01 47.78 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.276 1.43 . . . . 0.0 107.237 169.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -80.43 68.79 6.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.826 0.85 . . . . 0.0 109.134 173.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.9 t30 56.18 15.88 2.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.335 1.854 . . . . 0.0 113.666 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.77 -13.39 39.32 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.732 1.158 . . . . 0.0 113.233 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 m -54.73 -26.25 32.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.746 1.273 . . . . 0.0 112.094 169.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -59.27 -25.99 64.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.081 0.952 . . . . 0.0 111.946 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -111.57 15.71 21.0 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.741 1.616 . . . . 0.0 110.787 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.418 ' CE1' HE22 ' A' ' 107' ' ' GLN . 23.2 t60 69.0 -32.62 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 129.154 2.982 . . . . 0.0 115.626 171.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.1 -170.82 40.97 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 120.042 1.292 . . . . 0.0 111.731 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.04 139.01 30.36 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.609 1.564 . . . . 0.0 107.607 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.68 -57.01 2.57 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.76 1.171 . . . . 0.0 111.091 -170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -16.44 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -23.99 67.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 120.3 1.409 . . . . 0.0 112.713 171.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.23 -49.13 65.62 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 79' ' ' VAL . 35.1 mt -65.02 -36.88 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.07 -40.56 94.14 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.186 0.594 . . . . 0.0 111.552 173.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 m -68.88 -33.42 73.76 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.982 0.513 . . . . 0.0 111.201 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.7 -37.09 73.54 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.615 -0.678 . . . . 0.0 110.355 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.8 mm -65.07 -41.63 92.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.316 -0.865 . . . . 0.0 110.405 171.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.17 88.19 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 119.336 0.971 . . . . 0.0 109.982 174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -59.47 -41.49 89.87 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.845 0.748 . . . . 0.0 111.099 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 39.9 m -61.19 -32.23 71.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.845 0.858 . . . . 0.0 111.214 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -80.23 -44.15 20.2 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.254 -0.904 . . . . 0.0 110.803 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.09 -31.69 71.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.654 1.182 . . . . 0.0 111.32 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.4 tp -53.98 -27.24 30.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.675 0.79 . . . . 0.0 112.58 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -82.25 -8.95 59.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.913 0.885 . . . . 0.0 112.395 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.77 119.91 9.1 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.241 0.928 . . . . 0.0 109.891 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.86 154.79 41.52 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 109.98 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 19.3 tp -76.86 46.29 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.873 1.269 . . . . 0.0 110.744 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -57.43 -25.66 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.601 1.161 . . . . 0.0 111.621 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.32 -39.13 66.73 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.26 -0.9 . . . . 0.0 111.348 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.86 74.5 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.205 0.912 . . . . 0.0 111.617 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -74.82 -34.44 62.36 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.341 0.656 . . . . 0.0 110.355 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.49 -40.68 61.68 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.488 0.715 . . . . 0.0 111.665 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.2 mt -66.61 159.99 26.35 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.202 1.001 . . . . 0.0 111.006 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -26.88 61.56 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.759 0.824 . . . . 0.0 111.533 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -51.94 -20.64 2.45 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.939 1.696 . . . . 0.0 113.578 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.03 -23.32 5.03 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.333 1.453 . . . . 0.0 113.233 170.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -11.22 4.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.613 1.165 . . . . 0.0 113.817 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.53 -21.46 62.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.412 1.085 . . . . 0.0 111.997 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -58.05 164.79 2.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.081 0.952 . . . . 0.0 112.635 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.0 m -134.25 145.81 49.47 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.384 -1.709 . . . . 0.0 106.384 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.54 15.44 5.45 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.157 0.983 . . . . 0.0 111.531 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -149.46 154.09 38.29 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.947 1.299 . . . . 0.0 108.366 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -68.58 -21.12 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.9 tptt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 119.424 1.011 . . . . 0.0 109.494 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.29 3.17 11.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.294 1.437 . . . . 0.0 113.372 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -53.41 138.27 33.59 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.257 0.935 . . . . 0.0 111.024 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -151.86 158.57 43.41 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.841 1.657 . . . . 0.0 106.806 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -54.15 -35.28 62.08 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.499 0.72 . . . . 0.0 112.836 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.27 -36.44 79.4 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.258 0.935 . . . . 0.0 111.162 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.07 -43.75 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.86 -39.38 90.67 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.695 0.798 . . . . 0.0 112.032 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 t -71.08 -38.07 72.44 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.85 -52.74 57.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -44.55 88.15 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 118.743 0.701 . . . . 0.0 110.698 -175.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.7 m -63.7 -49.77 71.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.646 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.1 m -60.87 -45.77 93.24 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.19 1.359 . . . . 0.0 110.397 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.99 -43.26 99.28 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.838 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -61.7 -38.91 89.6 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.14 0.882 . . . . 0.0 111.031 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.15 -44.47 92.04 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.642 1.11 . . . . 0.0 112.947 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.82 -29.88 64.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.306 1.043 . . . . 0.0 111.077 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.75 154.12 42.2 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 127.056 2.142 . . . . 0.0 113.521 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.5 140.32 92.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 114.213 -1.358 . . . . 0.0 108.111 168.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.35 -31.07 21.87 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.593 2.862 . . . . 0.0 115.73 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -60.09 -23.38 63.76 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.559 0.744 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 48' ' ' PHE . 81.0 mt -85.67 -15.26 42.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.369 1.068 . . . . 0.0 111.964 -175.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -55.87 -46.72 99.71 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.069 -1.443 . . . . 0.0 113.43 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 -27.9 35.02 Favored 'Trans proline' 0 C--N 1.351 0.702 0 CA-C-N 122.557 1.949 . . . . 0.0 112.458 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.74 -41.06 88.44 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.391 -0.818 . . . . 0.0 109.17 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -74.24 -25.97 59.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.023 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.49 -45.41 84.93 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.851 1.659 . . . . 0.0 109.407 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.84 -48.01 70.17 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.738 0.415 . . . . 0.0 109.912 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 61.4 t80 -57.06 -47.29 81.31 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.982 0.513 . . . . 0.0 110.717 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.11 -56.83 15.46 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.198 1.399 . . . . 0.0 110.39 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -56.79 -55.49 33.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.38 0.672 . . . . 0.0 110.427 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.08 -35.31 80.17 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 117.016 -1.469 . . . . 0.0 111.937 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.57 -44.6 93.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 121.467 1.94 . . . . 0.0 110.277 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.31 -22.97 67.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.361 0.528 . . . . 0.0 111.985 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -103.35 18.04 22.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.586 1.554 . . . . 0.0 111.557 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.254 23.5 pttm 46.46 26.21 0.47 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.993 2.517 . . . . 0.0 114.918 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 37' ' ' LEU . 8.7 mt -83.35 69.14 9.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.699 -1.25 . . . . 0.0 110.209 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -51.1 -38.11 49.82 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.593 1.557 . . . . 0.0 113.08 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -70.7 -48.14 56.2 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 121.836 -0.54 . . . . 0.0 110.638 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -65.27 -36.14 83.18 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.845 0.748 . . . . 0.0 110.838 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.41 -48.69 73.99 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.185 1.394 . . . . 0.0 110.675 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -44.26 96.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.913 174.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.31 -38.08 88.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 120.358 1.435 . . . . 0.0 110.039 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -60.02 -48.35 82.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.679 0.276 . . . . 0.0 110.297 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.48 -29.84 70.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.739 0.816 . . . . 0.0 111.888 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -78.39 -39.2 39.82 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.473 1.109 . . . . 0.0 111.042 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -62.64 -39.11 92.84 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.117 -0.99 . . . . 0.0 109.656 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.66 -44.78 96.31 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -59.99 -37.4 79.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.878 1.217 . . . . 0.0 111.531 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.43 -38.82 81.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.476 0.58 . . . . 0.0 111.23 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -74.68 -25.75 59.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.476 0.71 . . . . 0.0 111.649 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.02 2.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.021 2.129 . . . . 0.0 115.043 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.21 71.67 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.692 -1.255 . . . . 0.0 112.151 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -148.06 37.63 0.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.162 1.385 . . . . 0.0 110.267 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -42.79 -45.05 11.07 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -169.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.45 -15.97 4.64 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 124.829 3.686 . . . . 0.0 117.69 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.43 -24.97 22.22 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.114 1.779 . . . . 0.0 110.888 172.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -61.32 -19.48 61.85 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.291 -1.338 . . . . 0.0 114.294 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.09 -51.76 68.64 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 120.24 1.382 . . . . 0.0 109.264 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -67.75 -42.07 82.36 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.954 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -57.36 -51.31 69.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.158 0.983 . . . . 0.0 110.171 -177.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -62.46 -51.81 66.01 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.812 -0.555 . . . . 0.0 110.615 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.33 -22.44 61.92 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -132.02 -5.37 3.51 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -169.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -132.94 -70.33 0.54 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 120.068 1.303 . . . . 0.0 109.749 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 61' ' ' LEU . 15.3 t -62.01 -20.79 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.504 1.047 . . . . 0.0 110.797 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.3 p -52.47 -34.02 47.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.582 1.153 . . . . 0.0 113.724 169.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -75.36 -12.97 60.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.635 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -148.06 35.45 0.83 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.009 1.277 . . . . 0.0 113.472 -169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 67' ' ' SER . 21.7 m-85 -50.42 -35.41 28.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 113.05 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.32 -26.53 52.26 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.995 0.518 . . . . 0.0 112.177 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -76.83 -14.55 59.89 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.369 -0.832 . . . . 0.0 112.18 -169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.27 155.21 41.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 124.941 1.296 . . . . 0.0 108.888 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -46.29 124.36 5.61 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.701 1.2 . . . . 0.0 109.942 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.92 -25.41 68.32 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 119.053 -0.499 . . . . 0.0 112.156 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 79' ' ' VAL . 85.2 mt -76.97 -29.52 55.57 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.036 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -64.19 -48.6 75.31 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 121.064 1.756 . . . . 0.0 109.582 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.0 t -50.09 -58.66 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 123.618 0.767 . . . . 0.0 110.198 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 76' ' ' LEU . 21.3 m -68.82 -36.15 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 116.754 -1.593 . . . . 0.0 111.296 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -58.38 -33.09 69.21 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 122.019 2.19 . . . . 0.0 111.27 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.94 -54.02 31.73 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.768 0.713 . . . . 0.0 109.158 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.84 -45.45 86.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.077 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -56.72 -41.92 78.3 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.049 1.34 . . . . 0.0 109.816 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.8 99.73 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.906 1.23 . . . . 0.0 111.73 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.77 85.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 117.724 0.238 . . . . 0.0 111.105 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -37.91 84.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.976 0.91 . . . . 0.0 110.817 -177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -64.54 -50.08 68.73 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.652 0.781 . . . . 0.0 109.569 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.18 -36.27 83.06 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 118.431 0.559 . . . . 0.0 111.034 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.5 m -72.21 -6.26 41.62 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.002 0.921 . . . . 0.0 113.477 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 47.57 31.01 1.86 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.353 1.861 . . . . 0.0 112.143 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.95 162.72 24.78 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.463 -0.773 . . . . 0.0 109.368 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -143.68 -39.59 0.3 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 125.257 1.423 . . . . 0.0 109.913 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.75 -47.66 58.5 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 118.853 0.751 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -67.27 -36.87 82.47 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.0 m -60.9 -44.54 97.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.376 0.535 . . . . 0.0 110.759 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.33 -55.73 31.05 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.338 1.055 . . . . 0.0 109.876 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.01 -49.94 75.69 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.132 0.173 . . . . 0.0 110.578 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -68.61 -41.68 79.21 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.041 -170.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.553 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -85.42 -25.49 26.95 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.349 1.431 . . . . 0.0 110.422 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.93 -43.83 86.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.773 1.169 . . . . 0.0 109.913 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.99 -43.67 87.11 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 122.139 -0.35 . . . . 0.0 111.166 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.28 -46.35 87.18 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.81 -0.556 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -55.78 -40.81 73.15 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.701 -0.624 . . . . 0.0 109.609 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.91 85.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.038 0.835 . . . . 0.0 111.403 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -61.99 -41.82 98.46 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.915 1.234 . . . . 0.0 110.018 171.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -67.67 -13.26 61.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.184 -0.948 . . . . 0.0 112.575 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -88.62 -24.55 22.79 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.458 1.027 . . . . 0.0 110.862 169.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.31 -30.62 69.65 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.66 1.573 . . . . 0.0 108.758 169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.26 11.35 0.97 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.059 1.344 . . . . 0.0 112.488 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -53.79 -32.23 51.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.444 1.475 . . . . 0.0 112.311 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 m -63.69 -25.79 68.36 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.089 -1.007 . . . . 0.0 111.978 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -89.15 -47.27 8.19 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.777 0.831 . . . . 0.0 109.934 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -63.9 -27.41 69.13 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.021 0.828 . . . . 0.0 112.807 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.47 -15.86 63.69 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.1 147.85 42.48 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.869 1.213 . . . . 0.0 110.456 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -69.95 -34.22 73.14 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.618 0.367 . . . . 0.0 111.548 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -149.29 152.47 35.95 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.879 1.271 . . . . 0.0 108.839 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.15 -18.54 35.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.351 0.976 . . . . 0.0 111.843 -171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.55 151.51 32.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.165 1.786 . . . . 0.0 109.317 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -125.09 -4.38 7.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.1 0.96 . . . . 0.0 111.485 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -153.35 164.46 38.1 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.214 2.605 . . . . 0.0 104.913 170.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -127.05 -8.15 5.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.066 1.346 . . . . 0.0 111.321 171.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.33 -31.3 0.95 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.877 1.227 . . . . 0.0 110.584 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.27 -32.78 66.95 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.368 1.067 . . . . 0.0 112.866 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.54 42.09 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 176.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 6.0 pt -72.58 -20.55 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 118.048 -0.977 . . . . 0.0 112.802 175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.56 -44.5 90.56 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.349 1.431 . . . . 0.0 109.415 169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.0 -48.17 82.8 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 121.676 -0.64 . . . . 0.0 109.489 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.74 -38.72 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 118.964 0.802 . . . . 0.0 109.578 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.47 -38.64 90.62 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.383 -0.823 . . . . 0.0 111.327 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -69.36 -38.15 77.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.428 0.691 . . . . 0.0 111.14 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -63.2 -46.61 86.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.6 mm -60.75 -42.34 91.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.809 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.65 -49.85 76.15 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.486 1.039 . . . . 0.0 110.366 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -60.26 -44.83 94.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.296 0.498 . . . . 0.0 110.337 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.6 m -57.55 -50.37 73.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.521 0.728 . . . . 0.0 110.109 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -72.86 -29.2 63.01 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.326 0.651 . . . . 0.0 111.787 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.12 -52.5 18.99 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.471 0.578 . . . . 0.0 109.888 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.07 -49.54 28.01 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.744 0.418 . . . . 0.0 110.945 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp 32.67 53.67 0.35 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.288 2.235 . . . . 0.0 112.6 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.06 -24.67 64.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -169.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -55.29 -33.81 63.58 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.848 0.859 . . . . 0.0 112.553 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 54.5 tp -156.58 88.3 1.06 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.52 145.73 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.008 0.923 . . . . 0.0 109.822 -174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -72.8 61.68 0.55 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.357 1.463 . . . . 0.0 109.849 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -71.61 65.89 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 111.417 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -64.91 -20.83 66.65 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.969 1.307 . . . . 0.0 111.325 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -146.61 161.37 40.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.997 2.119 . . . . 0.0 107.064 174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 76.1 mt -129.89 -7.03 4.48 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.998 1.319 . . . . 0.0 112.043 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.79 -40.11 94.05 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.593 1.542 . . . . 0.0 109.962 171.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.47 -31.53 72.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.386 0.674 . . . . 0.0 111.973 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.27 -46.8 19.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.19 0.596 . . . . 0.0 111.127 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.4 tt -158.78 -62.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.649 1.179 . . . . 0.0 108.875 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -164.55 158.06 17.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.746 1.619 . . . . 0.0 107.579 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.32 162.22 8.06 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.944 -0.473 . . . . 0.0 109.979 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -135.39 162.06 33.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.644 1.178 . . . . 0.0 109.286 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 59.5 tp -151.8 150.35 30.04 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.361 1.464 . . . . 0.0 107.535 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.31 158.64 44.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 107.772 175.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -56.54 -32.9 65.58 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.005 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.1 tptt . . . . . 0 C--O 1.249 1.038 0 C-N-CA 126.528 1.931 . . . . 0.0 109.981 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -79.79 -11.55 59.82 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -173.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.32 142.02 44.9 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.496 1.044 . . . . 0.0 110.286 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -149.25 161.18 42.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.525 1.53 . . . . 0.0 108.03 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -57.75 -35.03 70.18 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.146 0.978 . . . . 0.0 112.197 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.53 -44.09 97.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.784 0.72 . . . . 0.0 110.336 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.69 -42.73 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.59 -43.15 97.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.737 0.698 . . . . 0.0 111.823 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.97 -42.79 69.25 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD11 HD22 ' A' ' 64' ' ' ASN . 29.7 mt -63.49 -48.44 87.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 118.838 -0.601 . . . . 0.0 109.463 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.97 -36.63 83.85 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.789 0.722 . . . . 0.0 110.707 -175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 m -70.01 -35.7 74.55 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.24 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -67.88 -46.07 72.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.663 1.12 . . . . 0.0 110.036 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -55.33 -46.9 76.32 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 123.266 0.626 . . . . 0.0 109.409 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.3 ttp-105 -63.2 -49.54 73.85 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.135 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.8 ptp -63.24 -35.81 81.58 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.508 1.049 . . . . 0.0 111.793 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.23 -36.0 47.66 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.79 . . . . 0.0 111.517 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 167.28 20.3 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.583 1.182 . . . . 0.0 112.673 -169.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -76.15 138.91 68.42 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.786 1.234 . . . . 0.0 109.559 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.82 -39.0 18.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.188 3.259 . . . . 0.0 116.655 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -65.18 -20.84 66.63 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.704 1.138 . . . . 0.0 112.529 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.1 mt -80.39 -22.57 41.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.173 0.989 . . . . 0.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -60.86 -43.64 92.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 116.507 -1.711 . . . . 0.0 115.281 -169.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.89 -39.36 84.87 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.375 2.05 . . . . 0.0 113.217 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.68 -39.22 57.88 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.393 0.677 . . . . 0.0 111.418 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.41 -14.99 63.39 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.121 -0.943 . . . . 0.0 113.335 -175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.68 -40.74 98.06 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.088 1.313 . . . . 0.0 109.213 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -67.48 -39.72 85.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.415 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.07 -48.51 79.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.359 0.527 . . . . 0.0 109.99 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -51.21 -55.24 19.08 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.756 0.66 . . . . 0.0 109.929 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -55.35 -56.04 24.62 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.782 0.833 . . . . 0.0 110.685 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -75.76 -37.67 59.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 117.0 -1.476 . . . . 0.0 113.1 -171.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.52 -43.08 98.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 121.385 1.902 . . . . 0.0 109.136 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.56 -28.8 63.87 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.831 0.742 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.36 8.29 38.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.945 1.298 . . . . 0.0 112.088 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp 62.43 24.64 14.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 113.023 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -87.05 66.82 9.54 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 120.585 -1.322 . . . . 0.0 109.775 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -46.26 -37.76 7.68 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.513 1.125 . . . . 0.0 112.482 174.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.11 -53.97 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.11 -0.369 . . . . 0.0 110.464 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.53 -32.04 67.72 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.506 -0.746 . . . . 0.0 110.752 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.66 -41.52 73.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.673 0.789 . . . . 0.0 109.992 169.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 m -68.32 -35.22 77.47 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.144 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -63.74 -43.71 95.66 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.901 1.228 . . . . 0.0 108.892 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 m -58.84 -48.46 81.25 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.359 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.17 -31.6 72.54 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.594 0.757 . . . . 0.0 112.311 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 m -66.16 -45.1 82.14 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 120.22 1.373 . . . . 0.0 109.961 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.09 -40.15 94.89 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.33 -0.856 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -57.75 -48.13 80.5 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.118 0.567 . . . . 0.0 110.026 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.82 -34.83 79.29 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.947 -1.096 . . . . 0.0 112.536 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.96 -31.72 72.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.131 0.878 . . . . 0.0 111.012 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.16 -9.65 58.94 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.549 0.74 . . . . 0.0 112.91 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 48.29 -105.78 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.676 1.99 . . . . 0.0 112.071 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt 64.76 -47.18 0.33 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 129.41 3.084 . . . . 0.0 115.23 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 m -151.85 43.54 0.73 Allowed 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.433 1.493 . . . . 0.0 109.761 -167.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -46.18 -43.89 35.14 Favored Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -53.89 -25.66 36.48 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.671 2.914 . . . . 0.0 115.88 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.67 -31.37 57.6 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.014 1.725 . . . . 0.0 112.19 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -75.1 -1.01 21.02 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.212 -0.93 . . . . 0.0 112.799 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.1 mt -56.26 -32.18 64.27 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.87 1.668 . . . . 0.0 110.744 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.09 -40.28 95.89 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.96 -46.75 83.26 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.223 0.609 . . . . 0.0 109.71 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -59.79 -44.72 93.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.076 0.398 . . . . 0.0 110.99 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -60.15 -48.15 82.94 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.502 HD22 HD11 ' A' ' 10' ' ' ILE . 48.4 t30 -143.45 13.1 1.76 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -169.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -122.0 -60.78 1.55 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.043 -1.036 . . . . 0.0 108.458 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.6 -32.11 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.812 0.845 . . . . 0.0 109.812 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 p -57.11 -27.02 61.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.429 1.092 . . . . 0.0 113.355 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.45 -11.54 60.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.338 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -141.62 20.79 2.19 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.605 1.093 . . . . 0.0 112.693 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -41.49 -55.68 2.76 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.244 1.418 . . . . 0.0 113.426 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.18 -3.19 38.13 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.955 0.502 . . . . 0.0 111.88 -169.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.32 -14.22 62.13 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.643 -0.661 . . . . 0.0 110.786 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 pt -132.0 178.83 5.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 126.262 1.825 . . . . 0.0 108.099 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.94 127.22 30.38 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.73 0.412 . . . . 0.0 110.915 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.21 -54.43 43.5 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.649 0.78 . . . . 0.0 109.142 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.1 -22.71 63.11 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 117.004 -1.474 . . . . 0.0 113.814 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 m -67.09 -49.08 66.22 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 121.592 1.996 . . . . 0.0 110.442 171.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.39 -35.04 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.246 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.88 -40.73 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.345 -0.847 . . . . 0.0 109.518 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.41 -35.45 72.08 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.59 1.541 . . . . 0.0 111.28 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -62.07 -51.55 67.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.5 tp -57.06 -50.32 73.11 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.6 mt -54.56 -49.38 70.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.476 1.11 . . . . 0.0 110.788 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.31 90.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 118.652 0.66 . . . . 0.0 111.413 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.3 m -64.47 -46.1 84.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.437 0.637 . . . . 0.0 111.1 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -74.64 -36.57 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.054 1.342 . . . . 0.0 112.194 -169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -41.9 81.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.506 0.593 . . . . 0.0 109.657 173.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.27 -14.38 60.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.522 0.601 . . . . 0.0 112.147 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -71.15 -0.93 10.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.871 0.868 . . . . 0.0 112.641 169.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 56.09 49.11 16.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.705 1.602 . . . . 0.0 112.0 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.29 156.13 48.98 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.522 0.729 . . . . 0.0 109.192 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -135.3 19.95 3.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.569 1.148 . . . . 0.0 111.183 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -135.9 -50.98 0.72 Allowed 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.805 0.842 . . . . 0.0 111.362 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -66.11 -29.56 69.9 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.258 0.936 . . . . 0.0 108.586 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -52.53 -40.08 62.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.326 1.45 . . . . 0.0 112.183 169.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.32 -44.25 46.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.83 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -59.38 -50.61 73.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.315 0.507 . . . . 0.0 110.506 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.11 -39.45 68.86 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.058 -174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.07 -46.7 80.08 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.432 1.014 . . . . 0.0 109.138 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.74 -42.32 98.81 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.136 0.88 . . . . 0.0 110.944 -174.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.99 -49.35 70.62 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.415 0.286 . . . . 0.0 110.86 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.58 -37.64 88.25 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -58.05 -46.96 84.51 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.26 1.024 . . . . 0.0 108.99 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.95 92.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.223 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.21 -44.74 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.123 0.874 . . . . 0.0 110.32 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.35 -18.51 61.17 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.862 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -64.92 -40.97 95.87 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.24 0.927 . . . . 0.0 109.421 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -70.84 -21.08 62.48 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.919 -0.488 . . . . 0.0 111.458 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.9 mt -93.7 -3.24 52.68 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.682 1.193 . . . . 0.0 111.053 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 15.2 t70 -65.52 -39.69 92.1 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.694 -1.253 . . . . 0.0 111.189 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 p -67.65 -7.35 26.0 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.614 1.566 . . . . 0.0 112.622 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -100.19 -32.3 10.96 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.379 1.071 . . . . 0.0 109.16 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 110' ' ' ASP . 53.5 mtmt -61.08 -56.14 24.34 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.854 0.752 . . . . 0.0 110.147 169.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' A' ' 122' ' ' HIS . 17.0 pt20 -81.68 33.94 0.38 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -169.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -69.04 -5.41 21.72 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.102 -0.999 . . . . 0.0 113.517 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -66.5 83.21 0.1 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.342 0.974 . . . . 0.0 108.895 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.8 t30 43.03 59.61 2.83 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.917 2.087 . . . . 0.0 112.368 -169.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.25 166.3 34.63 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 p -161.26 15.57 0.1 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.9 150.11 45.59 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.59 1.156 . . . . 0.0 108.306 -171.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.27 137.24 54.56 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.963 0.905 . . . . 0.0 110.492 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.4 ' HB2' HE22 ' A' ' 114' ' ' GLN . 2.5 m-70 -131.24 -27.2 2.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.711 1.604 . . . . 0.0 110.183 169.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.96 16.46 30.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 124.461 1.029 . . . . 0.0 113.344 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.86 131.34 49.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.942 1.371 . . . . 0.0 110.808 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 82.11 -35.67 2.56 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.285 0.945 . . . . 0.0 112.171 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 129' ' ' ILE . 2.4 mt -65.1 -14.71 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 118.613 1.206 . . . . 0.0 110.589 176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.58 -34.95 52.86 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.577 1.151 . . . . 0.0 111.039 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.93 -50.07 74.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.54 0.609 . . . . 0.0 109.609 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 126' ' ' ILE . 3.2 mt -63.33 -37.97 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -175.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -60.03 -41.19 91.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.237 0.471 . . . . 0.0 111.401 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m -66.71 -36.86 83.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.427 0.558 . . . . 0.0 111.761 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -65.53 -45.01 85.14 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.011 0.823 . . . . 0.0 110.375 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.3 -49.6 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.7 68.88 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.726 0.694 . . . . 0.0 111.611 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -64.1 -36.77 85.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.133 0.878 . . . . 0.0 110.777 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.1 m -65.39 -37.1 85.97 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.771 0.714 . . . . 0.0 110.16 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -65.56 -43.13 90.79 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.829 0.852 . . . . 0.0 109.943 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.1 -44.6 97.11 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.18 -2.77 8.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.902 1.281 . . . . 0.0 113.149 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.96 -35.59 80.66 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 121.012 -1.055 . . . . 0.0 108.61 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.78 146.95 47.73 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -160.69 164.98 31.29 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 172.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.76 -3.24 6.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.71 1.204 . . . . 0.0 113.844 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.3 10.2 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.365 1.466 . . . . 0.0 111.127 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -126.91 -19.0 4.53 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.665 1.586 . . . . 0.0 110.797 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -137.87 158.69 43.82 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.578 2.351 . . . . 0.0 106.389 169.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.84 -22.21 62.34 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.56 -0.713 . . . . 0.0 111.894 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -154.92 170.32 21.97 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.773 2.029 . . . . 0.0 106.864 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.04 120.06 5.42 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.461 1.104 . . . . 0.0 109.293 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.9 mt 53.26 27.26 5.9 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.017 2.127 . . . . 0.0 113.888 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.26 -26.04 68.6 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.41 -0.806 . . . . 0.0 110.739 169.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.41 152.25 38.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 126.317 1.847 . . . . 0.0 107.32 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 60.7 tp -155.4 148.6 24.75 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -71.34 13.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.868 1.267 . . . . 0.0 112.762 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -86.47 32.65 0.64 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 119.774 -1.829 . . . . 0.0 109.923 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 5.7 p -60.81 -20.27 61.27 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.742 -1.224 . . . . 0.0 113.125 -171.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -28.19 64.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.289 1.036 . . . . 0.0 111.832 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -115.33 -40.77 3.38 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.717 1.207 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -78.47 67.93 4.36 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.711 1.205 . . . . 0.0 109.453 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.247 0.956 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -69.11 177.7 2.59 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.284 0.634 . . . . 0.0 111.235 171.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -132.03 152.4 51.19 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.164 1.386 . . . . 0.0 108.713 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.15 -35.1 28.79 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -60.95 -48.78 80.23 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.458 0.572 . . . . 0.0 112.003 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -67.69 -37.69 82.66 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 122.05 -0.406 . . . . 0.0 110.109 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.54 -47.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.42 -43.46 97.43 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.285 0.493 . . . . 0.0 111.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -40.58 84.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.19 -44.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-O 118.204 -0.903 . . . . 0.0 108.831 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -46.96 88.47 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 119.869 1.213 . . . . 0.0 110.612 -176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -68.1 -28.76 67.63 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.014 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.6 m -67.48 -45.37 76.1 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.056 1.298 . . . . 0.0 110.506 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.6 -49.79 69.6 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -63.09 -48.24 79.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.56 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -64.26 -35.19 80.03 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.463 1.029 . . . . 0.0 111.829 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.32 -31.13 30.06 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.247 0.619 . . . . 0.0 111.334 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.32 159.45 29.55 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 122.52 1.152 . . . . 0.0 112.73 -170.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.97 139.68 93.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 113.921 -1.49 . . . . 0.0 108.552 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -48.24 -30.89 15.76 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.862 3.041 . . . . 0.0 115.735 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -59.81 -23.69 63.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.725 0.81 . . . . 0.0 112.391 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.8 mt -88.44 -12.68 42.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.48 1.112 . . . . 0.0 111.662 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -60.29 -46.68 97.69 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 117.011 -1.471 . . . . 0.0 112.633 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.04 -38.74 95.13 Favored 'Trans proline' 0 C--N 1.352 0.75 0 CA-C-N 122.261 1.843 . . . . 0.0 112.74 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.764 -0.585 . . . . 0.0 110.471 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -76.64 -24.53 53.32 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.85 -36.48 80.38 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.85 1.204 . . . . 0.0 110.098 170.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -67.98 -42.9 80.1 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.663 -0.648 . . . . 0.0 110.216 173.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.98 -45.84 82.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.709 0.804 . . . . 0.0 110.871 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.03 -55.12 30.29 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.74 0.816 . . . . 0.0 110.446 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.25 -52.66 64.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.742 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -58.19 -43.53 87.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.402 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -61.42 -44.94 96.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.965 1.711 . . . . 0.0 110.396 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.27 -37.16 82.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.113 0.565 . . . . 0.0 110.706 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -78.68 0.05 28.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.002 1.321 . . . . 0.0 112.521 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . 0.268 0.6 OUTLIER 58.78 20.96 8.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.001 2.121 . . . . 0.0 112.66 -170.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.91 60.09 4.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.813 2.045 . . . . 0.0 111.56 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.14 -36.12 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.829 -1.532 . . . . 0.0 111.902 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.37 -51.41 52.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.563 -175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -69.67 -32.64 71.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.909 0.777 . . . . 0.0 110.333 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.9 -39.12 80.55 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.979 -0.45 . . . . 0.0 110.542 169.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 m -69.32 -34.0 73.99 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.878 0.763 . . . . 0.0 111.251 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.37 -39.78 94.28 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.757 1.162 . . . . 0.0 109.091 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -63.42 -42.16 98.72 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.565 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.26 -25.98 60.92 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.335 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -65.68 -42.47 91.25 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.602 1.546 . . . . 0.0 109.815 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.64 -45.9 92.31 Favored 'General case' 0 N--CA 1.461 0.12 0 O-C-N 121.405 -0.809 . . . . 0.0 109.671 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.12 -38.75 92.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.691 0.678 . . . . 0.0 111.257 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.77 -39.56 92.08 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.591 1.156 . . . . 0.0 111.178 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.43 -40.67 49.97 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.313 0.506 . . . . 0.0 111.08 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.12 -31.13 67.38 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.429 1.092 . . . . 0.0 112.402 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.88 18.24 2.12 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.129 2.172 . . . . 0.0 116.19 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -55.31 -37.66 67.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 113.074 -175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -145.76 40.4 1.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.609 1.164 . . . . 0.0 109.861 -169.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 HH12 ' A' ' 58' ' ' ARG . 1.3 m -39.01 -48.34 3.97 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -171.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -49.97 -25.82 13.11 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.28 2.654 . . . . 0.0 115.789 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.58 -33.42 63.88 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.83 0.741 . . . . 0.0 112.143 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 HH12 HG23 ' A' ' 55' ' ' THR . 7.9 mtm105 -63.93 -14.8 56.49 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 117.744 -1.122 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.54 -44.65 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 120.414 1.461 . . . . 0.0 110.39 169.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.94 -41.93 90.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.92 -45.73 87.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.59 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.72 -44.92 96.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.208 0.913 . . . . 0.0 111.035 177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -57.77 -49.17 77.48 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -141.9 8.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -117.22 -67.11 1.02 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.297 0.953 . . . . 0.0 108.748 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.58 -34.3 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.416 1.087 . . . . 0.0 109.548 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -58.24 -25.01 61.19 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -69.0 -18.96 64.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.227 0.921 . . . . 0.0 112.15 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -143.34 17.29 1.88 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.182 0.901 . . . . 0.0 112.342 -173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER -64.66 -14.16 57.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.889 -1.132 . . . . 0.0 113.932 -178.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.87 -23.93 61.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.469 1.108 . . . . 0.0 111.931 169.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -95.7 -3.67 45.6 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.591 1.157 . . . . 0.0 112.214 -169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.9 pt -133.95 172.0 17.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 124.119 0.968 . . . . 0.0 110.19 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -60.21 122.44 14.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.77 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -55.54 -36.98 67.38 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.707 0.803 . . . . 0.0 111.463 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.62 -31.57 68.59 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.474 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 m -66.31 -48.97 68.62 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 120.087 1.312 . . . . 0.0 110.835 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -61.45 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.689 0.677 . . . . 0.0 110.836 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -64.27 -37.82 80.92 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 CA-C-O 116.929 -1.51 . . . . 0.0 110.045 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -55.86 -40.15 72.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.898 2.135 . . . . 0.0 111.714 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -60.82 -48.94 79.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.208 0.913 . . . . 0.0 109.717 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.94 -45.32 86.27 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -50.32 68.23 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 126.356 1.862 . . . . 0.0 110.363 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.393 0.997 . . . . 0.0 110.557 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -61.65 -40.92 96.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.102 0.477 . . . . 0.0 110.978 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.0 -34.95 74.0 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.767 1.227 . . . . 0.0 112.159 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -64.38 -44.46 91.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.8 -33.07 74.82 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.586 0.63 . . . . 0.0 111.69 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 m -67.02 -12.31 59.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.346 0.3 OUTLIER 50.25 24.74 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 115.397 176.272 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -117.18 96.58 5.5 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 109.742 -172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -67.4 -25.21 65.83 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.363 0.665 . . . . 0.0 112.577 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.08 -45.14 35.53 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.539 1.063 . . . . 0.0 109.913 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.18 -35.5 80.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.139 -0.458 . . . . 0.0 109.983 171.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.5 m -61.58 -43.04 99.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.636 0.653 . . . . 0.0 111.048 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -54.92 33.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.81 0.844 . . . . 0.0 109.006 173.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -61.9 -51.61 67.48 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.254 0.622 . . . . 0.0 111.352 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.37 -42.52 96.0 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.878 0.471 . . . . 0.0 111.251 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.07 -26.56 19.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.478 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.9 -42.42 99.06 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.954 1.252 . . . . 0.0 109.251 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.45 -44.56 86.86 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.745 0.418 . . . . 0.0 111.45 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.85 -40.93 88.06 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.668 -0.645 . . . . 0.0 111.53 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -43.47 81.91 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.2 92.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.317 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -46.64 87.38 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.095 1.316 . . . . 0.0 110.681 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.26 -48.13 83.05 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.756 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -54.21 -39.39 66.65 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.45 -34.85 58.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 118.791 0.723 . . . . 0.0 110.724 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 tp -71.49 -44.99 63.69 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.64 -44.44 86.39 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.93 0.892 . . . . 0.0 111.638 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 p -68.58 -4.54 15.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 113.108 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -101.95 -44.92 5.35 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 119.284 0.947 . . . . 0.0 109.641 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -79.85 -32.99 40.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.087 0.858 . . . . 0.0 113.107 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -144.0 63.66 1.33 Allowed 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.215 1.006 . . . . 0.0 110.695 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -74.49 46.18 0.26 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.954 -1.091 . . . . 0.0 112.61 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -123.41 -12.92 7.71 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.745 2.418 . . . . 0.0 108.857 168.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -131.17 -31.82 1.64 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.095 1.758 . . . . 0.0 109.961 169.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.9 6.21 20.78 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.663 1.125 . . . . 0.0 113.347 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 m -61.89 -17.76 57.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.921 1.689 . . . . 0.0 113.077 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.76 169.9 16.96 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.018 1.727 . . . . 0.0 108.156 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -42.1 73.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.802 0.841 . . . . 0.0 111.73 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -79.99 54.44 1.9 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.55 1.94 . . . . 0.0 111.358 -169.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.86 159.88 38.79 Favored Glycine 0 CA--C 1.532 1.138 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 170.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.15 140.07 58.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.683 0.793 . . . . 0.0 110.566 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 78.82 -53.32 4.04 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 125.045 1.307 . . . . 0.0 111.161 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 7.3 pt -61.05 -23.65 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 118.069 0.935 . . . . 0.0 112.243 172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.92 -39.8 75.15 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 112.276 169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.55 -46.62 72.21 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.6 mt -61.45 -41.37 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.4 -43.0 99.62 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.472 0.578 . . . . 0.0 111.123 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -67.21 -38.65 85.67 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.606 0.762 . . . . 0.0 111.231 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.15 -44.24 96.07 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.578 0.751 . . . . 0.0 109.153 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.91 -33.98 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.174 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.61 79.58 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.93 1.241 . . . . 0.0 110.291 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -63.19 -36.6 84.19 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.531 0.605 . . . . 0.0 111.649 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 26.9 m -64.02 -38.03 89.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.844 0.747 . . . . 0.0 110.147 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -70.49 -37.02 74.16 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.936 -1.103 . . . . 0.0 110.785 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.68 -34.5 74.43 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.717 -0.614 . . . . 0.0 110.637 175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.09 -39.5 82.4 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.989 0.813 . . . . 0.0 111.232 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.11 -42.84 99.27 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.44 1.018 . . . . 0.0 110.427 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -67.04 -38.97 86.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.498 0.319 . . . . 0.0 111.278 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.82 -30.79 67.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.025 0.93 . . . . 0.0 112.275 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.96 68.71 2.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.502 1.521 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.16 172.33 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.284 1.833 . . . . 0.0 108.687 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -77.44 52.59 0.97 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.746 1.219 . . . . 0.0 110.936 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.49 166.55 5.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.939 0.896 . . . . 0.0 110.65 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -147.07 154.38 41.1 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.12 -44.6 96.29 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.471 0.578 . . . . 0.0 110.457 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 36.7 tp -83.72 61.58 6.4 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.297 1.039 . . . . 0.0 108.505 171.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -6.28 32.17 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.969 0.908 . . . . 0.0 112.217 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.28 -18.18 9.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.178 1.391 . . . . 0.0 113.33 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -59.63 -22.83 62.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.828 0.851 . . . . 0.0 112.997 171.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 61.2 tp -135.02 -32.12 0.97 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.602 1.161 . . . . 0.0 112.126 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.28 -14.55 11.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.977 1.311 . . . . 0.0 113.501 -172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -55.25 -18.08 5.59 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.154 0.982 . . . . 0.0 112.701 172.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 17.0 p -52.23 -35.44 49.65 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.857 1.208 . . . . 0.0 111.647 169.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.68 -37.02 85.77 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.498 0.719 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.5 -36.23 52.77 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.121 0.568 . . . . 0.0 111.036 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -65.09 -38.69 91.54 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.682 0.793 . . . . 0.0 111.455 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--O 1.249 1.055 0 C-N-CA 124.487 1.115 . . . . 0.0 109.76 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.16 -0.08 10.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.844 0.858 . . . . 0.0 113.045 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.94 149.09 37.57 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.474 0.579 . . . . 0.0 109.625 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -153.68 158.9 41.74 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.71 1.604 . . . . 0.0 108.537 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -50.12 -42.08 49.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.301 1.04 . . . . 0.0 112.679 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.13 -38.85 75.65 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.552 0.615 . . . . 0.0 110.065 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.75 -40.17 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 121.512 -0.742 . . . . 0.0 109.983 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.2 -33.49 74.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.228 0.922 . . . . 0.0 111.079 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -49.61 72.47 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.977 0.911 . . . . 0.0 109.833 171.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.97 -49.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 118.912 0.778 . . . . 0.0 109.041 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.96 -46.2 91.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.434 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.41 0.55 . . . . 0.0 111.542 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 m -68.39 -45.87 71.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.209 0.913 . . . . 0.0 110.671 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.67 -42.41 95.4 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.409 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -67.08 -30.5 70.56 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.064 1.302 . . . . 0.0 111.951 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 ptp -72.33 -34.53 68.12 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.807 1.185 . . . . 0.0 110.79 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -81.54 -37.53 27.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.967 1.707 . . . . 0.0 111.068 -175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -69.66 150.32 47.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.711 1.605 . . . . 0.0 112.09 -171.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.29 134.33 87.08 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 114.29 -1.323 . . . . 0.0 107.491 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -50.12 -26.99 16.01 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.48 2.787 . . . . 0.0 115.443 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -60.47 -22.98 64.1 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.261 0.937 . . . . 0.0 112.485 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt -78.66 -25.42 44.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.473 0.709 . . . . 0.0 111.331 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -62.78 -41.37 71.6 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -169.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -54.06 -31.38 64.25 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.636 2.224 . . . . 0.0 115.04 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.07 -31.27 14.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -68.8 -25.99 64.97 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.718 -0.614 . . . . 0.0 112.229 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.12 -30.93 71.37 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.635 -0.666 . . . . 0.0 110.725 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -73.07 -41.43 64.14 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.647 0.658 . . . . 0.0 109.669 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -48.57 72.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 173.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.11 -56.71 16.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.767 0.827 . . . . 0.0 110.341 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -38.57 77.76 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.447 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -70.42 -36.71 74.18 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 119.693 1.133 . . . . 0.0 111.203 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.025 1.284 . . . . 0.0 109.993 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.86 -39.57 81.73 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.502 0.592 . . . . 0.0 110.543 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -82.44 -3.67 56.08 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.935 0.894 . . . . 0.0 112.938 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 64.85 26.0 12.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.792 2.037 . . . . 0.0 113.638 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.1 mm? -85.16 74.34 10.48 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.589 -1.319 . . . . 0.0 109.385 174.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -44.23 -41.34 5.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.129 1.371 . . . . 0.0 113.64 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.14 -37.44 38.5 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.113 -0.992 . . . . 0.0 111.73 -172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.06 -37.7 72.49 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.608 -0.682 . . . . 0.0 109.265 175.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.44 -41.75 69.77 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.134 0.974 . . . . 0.0 110.073 169.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m -66.07 -45.38 81.47 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.953 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.36 -34.18 77.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.047 1.294 . . . . 0.0 110.381 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -67.7 -39.46 84.4 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.635 0.374 . . . . 0.0 111.067 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.7 -37.58 82.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.857 0.753 . . . . 0.0 109.999 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -61.72 -44.91 96.0 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -64.84 -40.47 95.22 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 121.154 -0.966 . . . . 0.0 111.085 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -56.82 -44.95 82.53 Favored 'General case' 0 CA--C 1.524 -0.03 0 C-N-CA 123.201 0.6 . . . . 0.0 109.69 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 6.2 t80 -80.69 -17.56 50.74 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -173.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.13 -30.22 71.3 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.108 0.563 . . . . 0.0 111.107 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.31 123.9 27.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.88 -21.13 60.62 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -57.2 -36.28 70.65 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.944 1.247 . . . . 0.0 110.647 176.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -75.61 -18.08 59.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.513 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.315 76.0 m -48.98 -57.7 10.65 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.671 -169.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 51.0 Cg_exo -70.09 -50.47 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.32 2.014 . . . . 0.0 115.054 171.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.277 1.5 pp -60.77 -23.51 65.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -168.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.594 HH12 ' HB2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -77.6 -6.41 53.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.841 1.256 . . . . 0.0 112.29 -176.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.16 -31.35 52.41 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.723 -1.236 . . . . 0.0 111.926 171.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -58.66 -38.3 77.85 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.557 0.617 . . . . 0.0 111.635 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -69.83 -38.76 76.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.791 -1.1 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.594 ' HB2' HH12 ' A' ' 58' ' ' ARG . 70.0 t80 -60.99 -46.46 90.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.004 1.274 . . . . 0.0 110.554 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.45 -20.42 61.4 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -169.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -145.63 -5.66 0.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -130.26 -62.49 0.93 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.368 1.44 . . . . 0.0 111.628 -168.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -61.73 -31.35 50.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.966 0.906 . . . . 0.0 109.431 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -54.27 -24.28 18.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.728 1.611 . . . . 0.0 113.911 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -76.87 -19.45 57.45 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.3 0.954 . . . . 0.0 112.418 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -145.44 9.44 1.22 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.656 1.116 . . . . 0.0 113.45 -171.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -30.34 19.83 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.735 1.152 . . . . 0.0 113.731 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.93 -23.27 67.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 113.44 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -101.87 -2.19 30.46 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.082 1.353 . . . . 0.0 111.573 -173.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.5 pt -131.31 170.62 19.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.191 0.905 . . . . 0.0 110.418 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.89 123.52 19.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.183 -170.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -48.15 -53.26 17.35 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.081 0.953 . . . . 0.0 110.474 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' A' ' 79' ' ' VAL . 81.3 mt -59.22 -30.34 68.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.062 -0.97 . . . . 0.0 112.387 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 m -64.28 -55.35 22.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 120.145 1.338 . . . . 0.0 110.381 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 5.9 m -64.57 -38.5 82.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 119.019 0.827 . . . . 0.0 111.293 -172.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 129' ' ' ILE . 25.0 m -69.89 -39.18 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 116.621 -1.657 . . . . 0.0 110.081 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -54.87 -37.12 65.86 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.741 2.064 . . . . 0.0 110.62 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 49' ' ' PHE . 8.6 m-30 -61.72 -59.93 4.43 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.913 0.863 . . . . 0.0 109.418 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.98 -37.94 81.1 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.703 -0.623 . . . . 0.0 111.516 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.47 -59.12 5.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.21 1.404 . . . . 0.0 109.217 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.642 ' HB3' ' CE2' ' A' ' 49' ' ' PHE . . . -64.47 -35.95 82.59 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 120.918 1.69 . . . . 0.0 111.4 -173.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.2 m -57.52 -45.87 84.5 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.237 0.926 . . . . 0.0 111.46 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.5 -24.69 31.62 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.96 -1.087 . . . . 0.0 112.636 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -78.62 -32.06 47.3 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.374 0.669 . . . . 0.0 109.968 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -75.93 -35.81 59.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 118.735 0.698 . . . . 0.0 111.119 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.7 m -57.23 134.38 55.89 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -81.59 39.95 0.56 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.065 0.946 . . . . 0.0 111.626 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -147.82 62.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 106.143 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.66 -27.28 26.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 113.976 -169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.02 -21.7 63.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.656 1.182 . . . . 0.0 112.493 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.51 -28.02 68.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.166 -0.959 . . . . 0.0 110.697 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -42.4 98.8 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.095 0.861 . . . . 0.0 110.091 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.42 -48.43 81.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.904 0.882 . . . . 0.0 109.251 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.17 -58.23 9.17 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.748 0.419 . . . . 0.0 110.943 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.66 -40.85 76.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.715 -0.659 . . . . 0.0 111.626 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.87 -25.56 40.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.198 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.82 -43.15 97.1 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.052 1.296 . . . . 0.0 110.101 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.57 -45.43 83.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.116 -0.365 . . . . 0.0 111.303 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 tp -66.12 -36.13 82.33 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.869 -0.519 . . . . 0.0 110.86 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 45.6 tttm -59.72 -44.16 93.85 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.862 170.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.36 87.13 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.186 1.357 . . . . 0.0 111.304 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -57.49 -47.53 81.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.81 0.732 . . . . 0.0 109.502 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -67.33 -23.47 65.63 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 116.93 -1.51 . . . . 0.0 113.452 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.04 -35.05 79.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 121.864 2.12 . . . . 0.0 110.294 172.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.83 -38.12 64.63 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.773 -0.579 . . . . 0.0 109.553 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.62 -31.89 71.36 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.539 -0.725 . . . . 0.0 110.568 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.01 -39.67 90.44 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.341 -0.85 . . . . 0.0 109.068 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.9 m -63.4 -27.78 69.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.713 0.805 . . . . 0.0 112.183 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -73.02 -36.69 67.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.801 0.841 . . . . 0.0 111.715 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -119.56 -11.55 9.44 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -142.4 35.7 1.49 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.746 1.218 . . . . 0.0 109.38 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.14 -36.87 78.49 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.91 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.2 t30 31.29 -83.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 129.035 2.934 . . . . 0.0 114.187 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.88 55.45 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.625 1.102 . . . . 0.0 109.864 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 74.43 28.11 64.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.1 m -87.79 18.48 4.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.942 1.697 . . . . 0.0 112.729 -169.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -59.88 168.09 1.94 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.69 -0.631 . . . . 0.0 110.535 169.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.66 33.82 23.36 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.841 1.256 . . . . 0.0 111.712 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -134.0 -2.68 2.88 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.078 0.951 . . . . 0.0 112.477 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.49 131.11 34.77 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.36 -35.25 75.25 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.548 0.674 . . . . 0.0 112.062 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.09 -46.45 93.31 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.143 -0.809 . . . . 0.0 111.116 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.3 pt -72.03 -24.06 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.325 1.563 . . . . 0.0 112.82 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.56 -42.47 91.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.394 0.997 . . . . 0.0 109.369 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.44 -43.31 94.71 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 121.736 -0.602 . . . . 0.0 110.283 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.436 ' CD1' HG11 ' A' ' 79' ' ' VAL . 31.2 mt -62.75 -39.29 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.644 1.111 . . . . 0.0 109.746 -178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.457 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 26.4 t70 -61.64 -38.75 88.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.969 0.804 . . . . 0.0 111.278 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 m -68.25 -36.24 79.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.601 0.36 . . . . 0.0 110.984 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -68.05 -51.04 51.34 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.318 1.047 . . . . 0.0 109.415 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.3 pp -70.06 -30.41 43.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 121.637 -0.664 . . . . 0.0 110.916 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.97 87.77 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.001 0.819 . . . . 0.0 110.391 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -64.93 -35.04 79.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.288 0.949 . . . . 0.0 111.169 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.4 m -61.52 -46.95 87.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.489 0.586 . . . . 0.0 110.188 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.24 -35.4 80.31 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.886 0.875 . . . . 0.0 111.606 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.2 tp -69.88 -17.59 63.36 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.034 1.334 . . . . 0.0 111.378 172.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 51.0 29.89 4.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.812 1.645 . . . . 0.0 111.568 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 44.7 28.07 0.31 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.024 1.73 . . . . 0.0 113.24 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.99 -33.95 76.89 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.696 0.798 . . . . 0.0 112.053 -173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -143.16 69.3 1.3 Allowed 'General case' 0 C--O 1.231 0.082 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.67 73.55 0.25 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.847 1.659 . . . . 0.0 112.24 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.63 158.07 6.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 123.79 0.836 . . . . 0.0 109.008 169.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.3 151.1 40.11 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -157.05 170.85 21.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.102 1.361 . . . . 0.0 108.975 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -150.39 169.45 21.4 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.251 1.42 . . . . 0.0 108.462 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.63 -33.97 74.87 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.578 0.751 . . . . 0.0 112.908 -171.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -148.57 129.66 14.49 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.09 159.6 43.62 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 126.067 1.747 . . . . 0.0 107.716 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.27 -28.14 69.5 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.387 0.675 . . . . 0.0 112.624 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.21 -16.08 63.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.161 0.984 . . . . 0.0 113.002 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.32 124.0 19.73 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.543 0.737 . . . . 0.0 109.972 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -155.46 161.75 40.89 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.834 1.653 . . . . 0.0 107.601 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -141.15 30.07 1.8 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.285 1.034 . . . . 0.0 111.259 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 33.9 p -65.71 156.6 32.5 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.975 -1.078 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.9 tp -114.16 17.83 17.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.639 1.176 . . . . 0.0 110.29 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -66.02 -12.06 52.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.663 1.185 . . . . 0.0 112.325 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.63 169.76 17.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.871 2.068 . . . . 0.0 108.777 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp . . . . . 0 C--O 1.25 1.126 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.01 -0.432 . . . . 0.0 111.011 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.54 122.43 14.65 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -154.87 178.7 9.86 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 126.477 1.911 . . . . 0.0 107.978 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.18 -36.28 29.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.6 -49.66 62.01 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.728 1.149 . . . . 0.0 109.537 177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.11 -36.6 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 123.513 0.725 . . . . 0.0 109.898 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.86 -38.56 91.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.763 0.71 . . . . 0.0 111.022 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -47.38 85.41 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.564 0.746 . . . . 0.0 109.717 173.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.56 -51.8 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.15 -40.35 95.67 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.544 0.611 . . . . 0.0 111.162 -176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -65.79 -47.83 73.81 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.406 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -61.14 -44.9 96.61 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 119.857 1.208 . . . . 0.0 110.365 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.9 mt -57.82 -48.31 80.1 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.328 0.651 . . . . 0.0 110.397 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -60.83 -39.66 89.86 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.851 0.751 . . . . 0.0 110.876 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.3 -43.81 93.57 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.243 0.929 . . . . 0.0 112.668 174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.92 -29.48 64.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.25 1.02 . . . . 0.0 111.352 -177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.57 138.42 58.39 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.212 1.805 . . . . 0.0 113.392 -171.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.32 141.63 97.35 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 168.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -48.39 -30.98 16.6 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.328 2.685 . . . . 0.0 115.788 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -62.99 -23.85 67.64 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.976 0.91 . . . . 0.0 112.431 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD22 ' CE1' ' A' ' 48' ' ' PHE . 62.6 mt -94.73 -16.2 23.25 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.51 1.124 . . . . 0.0 112.078 -169.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -56.98 -48.92 96.63 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 116.907 -1.52 . . . . 0.0 113.774 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.68 -41.48 70.11 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.8 1.667 . . . . 0.0 112.579 -173.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.0 tp -63.14 -35.06 79.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -67.15 -18.84 65.46 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.208 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.35 -44.65 94.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.698 1.136 . . . . 0.0 109.654 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.5 -41.41 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 t80 -56.89 -48.22 78.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.303 0.641 . . . . 0.0 110.737 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.99 -53.91 53.04 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.902 0.881 . . . . 0.0 110.138 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -57.69 -54.77 43.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.479 0.712 . . . . 0.0 110.25 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.79 -30.88 71.58 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 117.982 -1.008 . . . . 0.0 112.235 -175.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.07 -45.63 80.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.794 1.634 . . . . 0.0 110.422 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.43 -37.22 77.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.133 0.573 . . . . 0.0 111.007 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.27 2.53 24.21 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.306 1.043 . . . . 0.0 113.447 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 tttt 61.75 37.86 15.4 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.472 1.109 . . . . 0.0 111.251 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 mt -112.97 64.17 0.64 Allowed 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.357 1.463 . . . . 0.0 108.847 -174.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -50.84 -40.38 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 111.912 -2.403 . . . . 0.0 113.421 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -36.32 62.3 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -71.36 -38.42 71.6 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.474 -0.766 . . . . 0.0 109.454 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.64 -45.43 73.79 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.11 0.964 . . . . 0.0 109.006 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -65.62 -40.71 92.88 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.395 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -65.43 -35.18 80.16 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 120.855 1.662 . . . . 0.0 110.67 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 m -61.65 -48.74 79.46 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.58 -41.0 93.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.823 0.849 . . . . 0.0 111.184 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.1 m -64.7 -43.62 92.87 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.127 -0.983 . . . . 0.0 110.98 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -61.02 -30.85 70.55 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.533 -0.729 . . . . 0.0 110.428 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 22' ' ' LEU . 1.4 t80 -62.28 -43.11 99.58 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.102 0.561 . . . . 0.0 109.733 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.83 -22.78 60.74 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.15 -39.64 71.81 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.848 1.204 . . . . 0.0 110.168 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -74.61 -30.5 61.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.583 0.753 . . . . 0.0 111.358 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.86 30.57 3.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.425 1.89 . . . . 0.0 114.793 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -35.93 82.15 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.114 -0.991 . . . . 0.0 111.954 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -150.31 64.19 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.2 1.0 . . . . 0.0 109.814 -168.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.417 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -53.14 -51.05 78.7 Favored Pre-proline 0 CA--C 1.549 0.927 0 O-C-N 120.449 -1.407 . . . . 0.0 114.688 -169.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 73.8 Cg_exo -58.12 -21.42 51.05 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.507 2.805 . . . . 0.0 115.314 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 -21.64 59.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.112 0.869 . . . . 0.0 110.815 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -3.82 47.1 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -39.5 90.19 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 122.124 2.238 . . . . 0.0 111.735 -174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -66.03 -30.36 70.88 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.797 -0.621 . . . . 0.0 112.224 173.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -61.58 -48.02 82.83 Favored 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 125.136 1.374 . . . . 0.0 108.834 176.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.12 -56.3 17.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 121.834 -0.541 . . . . 0.0 110.228 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.7 -29.1 70.37 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -125.65 -8.33 6.8 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -128.25 -65.05 0.92 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.015 -0.993 . . . . 0.0 108.923 -169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.23 -28.96 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 120.303 1.411 . . . . 0.0 110.26 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -53.64 -26.36 21.92 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.408 1.004 . . . . 0.0 113.528 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -75.65 -18.06 59.79 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.169 0.895 . . . . 0.0 112.542 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -146.67 28.41 1.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.508 1.049 . . . . 0.0 111.418 -172.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -55.28 -19.84 9.56 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -115.35 -4.18 12.39 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.002 0.921 . . . . 0.0 112.374 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -70.79 -15.26 62.65 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.813 -1.179 . . . . 0.0 111.504 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 pt -130.77 170.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 125.231 1.413 . . . . 0.0 108.843 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -53.46 125.37 17.73 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.702 0.801 . . . . 0.0 110.926 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -66.3 -31.55 72.41 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.572 0.749 . . . . 0.0 111.29 -174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.36 -28.25 64.97 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.442 173.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -66.08 -49.65 66.86 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 120.796 1.635 . . . . 0.0 110.406 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -61.89 -40.34 86.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.042 0.837 . . . . 0.0 110.792 -175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 129' ' ' ILE . 32.8 m -70.2 -44.16 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 116.842 -1.551 . . . . 0.0 110.135 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -57.81 -37.69 74.22 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 122.396 2.362 . . . . 0.0 111.697 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -59.35 -56.39 22.7 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.8 -48.62 80.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.85 0.46 . . . . 0.0 111.13 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -57.19 5.4 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 127.195 2.198 . . . . 0.0 109.256 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.988 0.358 . . . . 0.0 111.275 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.1 m -66.16 -59.14 4.04 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.438 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -77.59 -17.26 58.01 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.318 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -35.61 63.53 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.757 1.617 . . . . 0.0 110.69 171.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.78 -28.58 50.57 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.649 0.659 . . . . 0.0 111.272 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -59.67 169.89 1.24 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.564 1.173 . . . . 0.0 112.804 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.53 9.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.029 2.132 . . . . 0.0 115.93 -169.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -142.05 169.43 17.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.467 1.03 . . . . 0.0 110.048 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -145.82 11.49 1.24 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.131 1.372 . . . . 0.0 112.596 -175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.67 -28.0 3.04 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.018 1.727 . . . . 0.0 109.956 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.84 -33.64 68.85 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.188 -0.945 . . . . 0.0 108.99 168.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -57.05 -40.97 77.81 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.501 1.121 . . . . 0.0 112.275 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.41 -50.11 75.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.903 0.881 . . . . 0.0 109.343 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.99 -53.8 52.81 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.68 -46.54 89.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.71 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.4 mm? -86.84 -23.82 25.18 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.875 -169.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -42.06 95.12 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.626 1.103 . . . . 0.0 109.467 169.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.02 -42.85 80.02 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.098 -0.376 . . . . 0.0 111.727 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.88 -41.43 87.26 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 110.788 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.97 -43.7 81.92 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 121.372 -0.83 . . . . 0.0 109.777 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.99 86.24 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.215 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.2 -44.17 92.24 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.922 1.237 . . . . 0.0 110.845 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.84 -36.4 83.37 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.753 -0.592 . . . . 0.0 111.419 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.93 -34.86 76.86 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.788 -0.625 . . . . 0.0 111.782 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.46 -26.05 66.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.391 1.451 . . . . 0.0 111.26 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.08 -2.71 58.3 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.114 0.966 . . . . 0.0 112.125 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -52.35 -62.0 1.91 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.875 0.87 . . . . 0.0 111.771 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 p -67.4 -27.13 66.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.132 1.373 . . . . 0.0 112.383 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.63 -43.91 71.72 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.69 -26.51 0.08 Allowed 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -68.59 -23.57 64.48 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.458 1.935 . . . . 0.0 111.116 -169.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.14 -19.97 23.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.333 172.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -53.93 -36.99 63.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.841 1.201 . . . . 0.0 111.175 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -89.3 -48.88 7.06 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.62 -43.44 21.68 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 126.105 1.812 . . . . 0.0 114.886 -171.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m -70.24 -6.95 38.32 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.087 0.944 . . . . 0.0 113.486 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -124.75 -28.49 3.52 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.798 1.239 . . . . 0.0 111.101 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -155.56 137.35 14.37 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.548 1.539 . . . . 0.0 108.162 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.51 23.6 2.3 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.625 1.17 . . . . 0.0 110.391 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -97.51 19.5 54.45 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.882 1.229 . . . . 0.0 111.834 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -155.12 178.87 9.72 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.571 1.548 . . . . 0.0 108.969 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.08 -125.31 9.57 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.12 -16.46 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 117.598 -1.191 . . . . 0.0 113.432 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.45 -43.33 94.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.095 1.77 . . . . 0.0 110.487 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.62 -45.2 95.09 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 79' ' ' VAL . 48.3 mt -66.05 -38.05 81.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.87 -38.59 91.45 Favored 'General case' 0 N--CA 1.461 0.092 0 O-C-N 121.34 -0.85 . . . . 0.0 111.05 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.8 m -70.38 -34.85 73.06 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.248 0.619 . . . . 0.0 111.009 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.35 -47.26 82.9 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 99' ' ' LEU . 8.8 mm -63.2 -41.55 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.89 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.41 85.45 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.536 1.062 . . . . 0.0 110.48 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -62.04 -41.45 98.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.476 0.58 . . . . 0.0 111.017 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.0 m -59.4 -37.98 79.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.877 0.762 . . . . 0.0 110.938 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.19 -40.85 51.37 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.639 -0.663 . . . . 0.0 110.978 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.2 -34.27 76.15 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.598 0.759 . . . . 0.0 110.801 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.26 -20.83 60.64 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.855 0.862 . . . . 0.0 112.384 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -72.65 -37.58 67.92 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.491 1.042 . . . . 0.0 110.662 173.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -73.08 -32.0 64.73 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.87 0.468 . . . . 0.0 110.8 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.9 t70 52.96 25.3 3.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.002 1.721 . . . . 0.0 113.435 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt 53.09 27.88 6.27 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.089 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.51 131.67 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.128 0.876 . . . . 0.0 110.103 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.42 -33.9 70.19 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.829 -0.544 . . . . 0.0 111.802 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.23 -8.56 5.9 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.387 1.075 . . . . 0.0 113.83 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -63.41 -12.96 34.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.676 1.126 . . . . 0.0 112.585 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 155.1 49.22 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.298 1.439 . . . . 0.0 108.133 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.44 -14.38 4.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.102 1.361 . . . . 0.0 113.603 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.07 -17.92 1.8 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.381 1.072 . . . . 0.0 113.83 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -143.26 144.8 32.28 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.507 1.049 . . . . 0.0 109.069 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -156.35 146.58 21.41 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.897 1.279 . . . . 0.0 108.66 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 43.5 tp -153.55 156.41 38.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 125.525 1.53 . . . . 0.0 107.668 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -62.2 166.67 4.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.776 0.83 . . . . 0.0 110.821 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -60.6 -19.36 57.56 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 12.9 t -151.65 172.23 16.4 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.691 1.196 . . . . 0.0 107.912 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.3 tp -130.01 5.66 4.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.7 1.6 . . . . 0.0 109.626 169.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.28 -32.92 74.46 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.467 -0.771 . . . . 0.0 111.331 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -77.69 61.87 2.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.519 1.128 . . . . 0.0 108.695 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.251 1.148 0 C-N-CA 124.551 1.14 . . . . 0.0 109.069 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -138.25 166.44 24.18 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.362 1.465 . . . . 0.0 108.119 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -80.17 47.47 0.91 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.992 0.901 . . . . 0.0 111.068 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -65.75 -9.86 31.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.427 -0.796 . . . . 0.0 112.655 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -54.72 29.84 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.679 1.127 . . . . 0.0 109.064 172.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -67.98 -39.95 83.22 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -28.16 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 117.985 -1.007 . . . . 0.0 113.075 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -71.26 -33.95 70.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.411 1.459 . . . . 0.0 110.249 169.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -47.05 85.9 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 169.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.87 -47.75 90.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.59 98.19 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 118.625 0.648 . . . . 0.0 111.423 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.38 -32.26 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.343 0.974 . . . . 0.0 111.866 174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -66.71 -43.99 82.82 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.422 1.01 . . . . 0.0 110.373 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.51 -49.64 77.01 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 121.309 -0.869 . . . . 0.0 109.878 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -60.9 -38.5 85.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.023 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 ptp -68.6 -30.69 69.48 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.775 1.17 . . . . 0.0 112.427 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.04 -29.43 16.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.394 0.677 . . . . 0.0 112.525 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.09 156.99 34.7 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.748 1.619 . . . . 0.0 112.715 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.91 139.18 79.79 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 113.934 -1.485 . . . . 0.0 107.788 168.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.7 -31.53 19.39 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.758 2.972 . . . . 0.0 115.818 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -58.9 -26.69 64.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.575 0.75 . . . . 0.0 111.92 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 53' ' ' LYS . 24.6 mt -89.87 -14.84 33.47 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.728 1.211 . . . . 0.0 111.267 -172.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -62.94 -51.62 69.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 117.394 -1.289 . . . . 0.0 113.316 -170.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.22 -30.67 30.63 Favored 'Trans proline' 0 C--N 1.352 0.751 0 CA-C-N 122.212 1.826 . . . . 0.0 111.637 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.52 -39.54 93.9 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 121.504 -0.748 . . . . 0.0 110.678 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -30.08 70.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.638 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.01 -34.76 78.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.767 1.167 . . . . 0.0 110.568 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.67 -45.37 62.12 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.691 -0.63 . . . . 0.0 109.618 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.35 -46.62 72.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.712 0.805 . . . . 0.0 110.191 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -53.6 -55.47 25.52 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.846 0.858 . . . . 0.0 110.097 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -37.1 85.88 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.222 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.36 -42.11 88.53 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.671 -1.156 . . . . 0.0 111.488 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.28 -43.4 98.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 120.517 1.508 . . . . 0.0 109.743 173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -66.01 -11.67 49.7 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.404 0.682 . . . . 0.0 112.488 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -118.9 9.22 11.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.979 1.311 . . . . 0.0 111.88 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 65.78 24.91 11.39 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.186 1.795 . . . . 0.0 113.569 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 37' ' ' LEU . 2.9 mm? -82.68 68.43 9.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 120.649 -1.282 . . . . 0.0 109.519 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -45.9 -37.54 6.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.557 1.143 . . . . 0.0 112.496 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -74.21 -51.54 15.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.928 -0.558 . . . . 0.0 110.236 -175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.44 -33.73 76.36 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.834 1.197 . . . . 0.0 110.9 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.73 -47.37 73.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.0 1.32 . . . . 0.0 110.337 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -65.92 -35.77 81.54 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.836 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.95 -44.04 97.16 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.603 1.547 . . . . 0.0 109.116 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -62.21 -45.08 94.97 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.637 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.63 -35.33 80.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.377 0.671 . . . . 0.0 111.596 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.6 m -70.33 -38.66 74.92 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.28 -0.887 . . . . 0.0 110.656 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.61 -41.05 98.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.578 1.081 . . . . 0.0 110.077 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.52 -42.52 96.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.916 0.887 . . . . 0.0 110.438 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -65.97 -41.74 90.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.024 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -71.42 -33.27 69.28 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.406 0.683 . . . . 0.0 111.347 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.35 -2.38 19.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.94 0.896 . . . . 0.0 112.576 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 66.43 -27.26 0.12 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.352 3.061 . . . . 0.0 116.771 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' LEU . 48.0 mmtm -42.64 -48.03 5.39 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.505 1.522 . . . . 0.0 114.695 -171.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 p -82.89 4.51 25.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -168.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.332 90.7 m -40.5 -56.46 3.64 Favored Pre-proline 0 CA--C 1.548 0.872 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -168.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -61.85 -43.33 26.15 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 122.742 2.015 . . . . 0.0 114.226 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.8 pp -80.02 -5.83 56.5 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -170.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -62.1 -20.42 64.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.6 1.091 . . . . 0.0 112.532 170.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -56.81 -38.53 72.69 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.026 0.83 . . . . 0.0 111.589 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.04 -44.64 96.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.688 0.676 . . . . 0.0 110.347 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -45.17 83.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.285 1.434 . . . . 0.0 109.452 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -61.68 -52.25 65.1 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.871 -0.518 . . . . 0.0 110.914 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.76 -30.36 61.44 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -168.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -118.55 -11.44 9.92 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -124.39 -62.84 1.23 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.21 -27.77 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 119.105 0.866 . . . . 0.0 110.947 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -54.71 -28.23 46.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.426 1.09 . . . . 0.0 113.6 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -75.16 -11.03 59.99 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.559 -0.713 . . . . 0.0 112.368 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -145.11 36.97 1.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.326 1.05 . . . . 0.0 110.983 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -55.53 148.07 16.47 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.26 -23.09 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.57 2.348 . . . . 0.0 115.351 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.14 -20.01 66.25 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.027 -1.046 . . . . 0.0 109.437 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.5 pt -126.57 167.76 20.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 125.587 1.555 . . . . 0.0 108.24 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -56.93 123.06 13.78 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.56 -39.54 73.65 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.542 0.737 . . . . 0.0 111.247 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.96 -28.39 66.59 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.649 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -63.55 -49.72 72.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 120.63 1.559 . . . . 0.0 109.796 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m -61.58 -45.31 98.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-N 118.55 0.614 . . . . 0.0 110.148 -175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.4 m -69.29 -38.16 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.745 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.28 -37.6 72.64 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 123.521 2.873 . . . . 0.0 111.925 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.13 -52.72 63.67 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.36 -45.91 90.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.499 0.72 . . . . 0.0 111.795 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.9 -56.23 9.41 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 126.156 1.782 . . . . 0.0 108.518 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.13 -46.33 85.78 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.419 0.554 . . . . 0.0 111.358 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -55.25 -45.57 76.08 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.229 0.331 . . . . 0.0 111.137 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mp -71.68 -39.25 70.39 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.808 0.843 . . . . 0.0 111.937 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.51 -44.83 89.67 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.63 -29.74 68.3 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.8 m -63.56 -21.82 66.55 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 48.56 36.26 7.26 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.14 1.376 . . . . 0.0 111.895 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.1 -177.67 3.03 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -145.2 -3.48 0.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.853 1.261 . . . . 0.0 112.749 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -142.95 -44.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.885 0.874 . . . . 0.0 110.441 -171.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.57 -40.28 96.35 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 m -57.3 -36.73 71.45 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 123.426 0.69 . . . . 0.0 112.009 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.3 mt -77.53 -41.35 39.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.089 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -56.97 -47.89 79.69 Favored 'General case' 0 N--CA 1.461 0.075 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -57.41 -53.45 57.95 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.346 0.658 . . . . 0.0 111.655 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.52 -32.61 42.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 110.018 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.16 -45.21 92.9 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.957 0.799 . . . . 0.0 110.755 173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.28 -46.01 74.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.097 0.408 . . . . 0.0 111.244 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.26 -44.91 93.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -55.7 -46.69 77.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.504 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.2 89.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.691 0.678 . . . . 0.0 111.305 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -58.95 -44.51 91.46 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.152 0.887 . . . . 0.0 110.199 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 -69.2 -39.35 78.68 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.816 -0.552 . . . . 0.0 110.482 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.94 -34.2 71.47 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.215 1.006 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.66 -33.81 35.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.543 0.737 . . . . 0.0 110.975 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.42 -26.22 61.77 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.573 0.749 . . . . 0.0 111.206 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.28 -35.91 68.0 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.768 . . . . 0.0 112.342 -172.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 m -73.62 -19.24 60.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.633 -0.667 . . . . 0.0 111.925 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -87.35 -35.17 18.53 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.436 1.094 . . . . 0.0 109.013 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -29.64 70.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.253 170.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 69.47 173.74 0.3 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.814 2.046 . . . . 0.0 111.266 173.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -126.88 11.16 7.13 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.669 0.788 . . . . 0.0 112.8 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -56.58 123.77 15.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.959 0.799 . . . . 0.0 108.879 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 58.0 t30 46.65 39.37 6.91 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.24 1.416 . . . . 0.0 112.104 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.61 -22.11 0.13 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 118.42 -1.211 . . . . 0.0 113.313 -170.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -50.15 -31.49 13.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.994 1.897 . . . . 0.0 113.005 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -55.11 -22.65 17.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.387 1.475 . . . . 0.0 114.295 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -140.89 4.02 1.86 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.417 1.087 . . . . 0.0 112.162 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -55.93 133.17 51.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.465 0.65 . . . . 0.0 111.412 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.46 0.12 82.68 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 118.069 -1.406 . . . . 0.0 114.082 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.46 -36.05 68.62 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.623 2.212 . . . . 0.0 112.426 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -29.06 67.5 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.957 0.789 . . . . 0.0 112.879 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 129' ' ' ILE . 30.4 pt -103.7 -15.8 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.34 1.07 . . . . 0.0 112.419 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.73 -37.58 82.23 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.074 0.852 . . . . 0.0 108.81 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.77 -47.13 83.39 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.823 -0.548 . . . . 0.0 110.501 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 126' ' ' ILE . 50.2 mt -64.03 -41.54 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.703 0.683 . . . . 0.0 109.73 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.45 -39.58 88.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 118.469 0.577 . . . . 0.0 110.785 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -66.34 -37.0 84.34 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.143 0.577 . . . . 0.0 111.062 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.77 -41.45 75.13 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.16 0.891 . . . . 0.0 110.555 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.3 -46.93 94.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.31 97.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.788 0.722 . . . . 0.0 111.338 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.42 -44.73 84.86 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.51 0.724 . . . . 0.0 110.75 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.9 m -64.57 -45.39 87.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.007 0.523 . . . . 0.0 109.71 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.29 -44.18 92.51 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.8 0.727 . . . . 0.0 111.369 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 61.9 tp -65.83 -49.93 66.41 Favored 'General case' 0 C--N 1.338 0.09 0 C-N-CA 123.682 0.793 . . . . 0.0 110.423 -174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.33 -41.12 92.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.263 0.625 . . . . 0.0 110.184 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -92.08 10.98 26.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.847 0.859 . . . . 0.0 111.817 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -61.0 149.22 37.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.77 0.714 . . . . 0.0 110.36 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.45 -25.17 66.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -138.31 165.89 25.59 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.094 0.958 . . . . 0.0 111.705 -170.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.96 159.73 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 126.376 1.87 . . . . 0.0 106.103 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -54.8 -24.8 24.46 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.49 -18.22 27.3 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -58.72 -33.48 70.27 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.292 0.951 . . . . 0.0 111.396 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.86 133.46 50.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.881 0.764 . . . . 0.0 110.775 -175.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.7 tp 43.29 53.6 5.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.686 1.994 . . . . 0.0 112.707 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 39.7 tp -147.04 158.72 44.02 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.161 1.385 . . . . 0.0 107.418 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.54 -24.3 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.227 0.611 . . . . 0.0 112.267 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.18 -11.51 57.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.51 1.524 . . . . 0.0 113.442 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.1 tp -52.2 142.5 16.47 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.863 1.265 . . . . 0.0 111.356 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -143.59 150.84 39.4 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 105.72 -1.956 . . . . 0.0 105.72 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.63 -32.15 70.17 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.154 0.434 . . . . 0.0 111.273 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.4 m 50.01 44.9 25.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 111.091 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.16 -28.9 68.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.63 0.772 . . . . 0.0 110.603 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.8 160.37 40.87 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.555 1.942 . . . . 0.0 105.983 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.4 -26.01 59.82 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.753 -0.592 . . . . 0.0 110.684 172.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.249 1.033 0 C-N-CA 124.187 0.995 . . . . 0.0 109.341 179.02 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -68.61 151.87 46.13 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.404 0.682 . . . . 0.0 109.794 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -80.77 34.13 0.33 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.329 1.452 . . . . 0.0 109.395 169.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -61.7 -18.46 59.75 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.451 1.501 . . . . 0.0 114.986 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -59.73 -46.25 89.7 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.558 0.743 . . . . 0.0 111.159 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.32 -33.59 75.57 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.762 -0.587 . . . . 0.0 110.052 176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.89 -42.96 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.57 -36.06 79.55 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 121.583 -0.698 . . . . 0.0 111.344 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -49.15 78.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.278 0.631 . . . . 0.0 109.914 170.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.48 -46.82 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.905 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -58.9 -48.82 80.06 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 119.05 0.841 . . . . 0.0 109.786 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -63.56 -40.29 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.067 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -71.3 -44.83 64.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.254 0.479 . . . . 0.0 110.981 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.16 -42.55 84.15 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.986 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.12 -40.62 94.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 120.69 1.586 . . . . 0.0 110.904 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 ptp -64.61 -29.72 70.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.559 1.072 . . . . 0.0 113.195 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -23.04 14.74 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 161.41 30.98 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.652 1.581 . . . . 0.0 112.09 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.19 138.09 52.66 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.812 169.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.89 -30.71 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.671 2.914 . . . . 0.0 115.666 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -60.75 -24.38 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.782 0.833 . . . . 0.0 111.977 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -84.44 -19.43 33.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 111.876 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -59.75 -37.55 51.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.415 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.36 -28.76 64.73 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.395 2.063 . . . . 0.0 114.427 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -71.23 -38.56 71.96 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 9.1 m-85 -75.09 -19.51 59.93 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.06 -47.37 77.59 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.932 1.242 . . . . 0.0 109.291 171.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -64.74 -46.83 80.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.409 0.684 . . . . 0.0 110.181 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 15.0 t80 -54.9 -46.58 74.86 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.349 1.06 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.47 -61.5 2.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.921 0.488 . . . . 0.0 109.895 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -39.92 94.25 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.422 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.28 -37.82 86.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -64.85 -47.12 79.07 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 120.472 1.487 . . . . 0.0 110.38 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -65.25 -28.09 69.11 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.444 0.566 . . . . 0.0 111.713 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.5 1.47 53.41 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 0.0 112.428 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp 62.69 47.41 4.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.164 1.386 . . . . 0.0 111.388 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 37' ' ' LEU . 88.1 mt -119.26 59.31 0.85 Allowed 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 126.035 1.734 . . . . 0.0 109.485 -171.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -50.16 -41.05 48.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 111.794 -2.457 . . . . 0.0 113.486 -171.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -71.76 -35.39 70.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.862 0.756 . . . . 0.0 111.49 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -79.48 -34.38 41.41 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.529 -0.732 . . . . 0.0 109.491 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.51 -42.84 79.06 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.92 -40.11 91.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 117.772 -1.108 . . . . 0.0 111.41 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.0 -36.51 84.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.795 1.634 . . . . 0.0 110.468 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -62.92 -48.5 78.65 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.099 0.56 . . . . 0.0 110.149 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -68.19 -28.3 67.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.868 0.467 . . . . 0.0 111.673 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.9 m -70.24 -43.16 71.14 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.912 -1.118 . . . . 0.0 110.152 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.73 -34.49 78.45 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.135 -0.978 . . . . 0.0 110.411 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.67 -44.07 94.82 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.442 0.565 . . . . 0.0 110.215 169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -33.44 74.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.987 0.915 . . . . 0.0 112.601 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -69.62 -24.41 63.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.159 0.583 . . . . 0.0 111.665 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.66 169.65 16.85 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.405 0.682 . . . . 0.0 109.948 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.38 -17.22 10.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.165 1.386 . . . . 0.0 111.848 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -57.18 -26.47 60.69 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.427 1.012 . . . . 0.0 111.202 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -103.11 6.28 38.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.435 1.894 . . . . 0.0 113.777 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.3 m -46.85 -52.66 31.09 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-O 117.515 -1.231 . . . . 0.0 113.011 -169.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -91.62 -17.85 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.358 2.705 . . . . 0.0 114.489 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.71 -40.81 76.31 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 121.18 1.809 . . . . 0.0 110.117 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -60.28 -18.0 46.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.841 1.257 . . . . 0.0 114.046 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.09 -41.23 92.05 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.933 1.242 . . . . 0.0 109.829 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.22 -33.54 72.4 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.062 0.545 . . . . 0.0 110.839 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.04 -35.63 56.68 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 117.56 -1.21 . . . . 0.0 110.599 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -60.57 -42.28 96.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.219 1.372 . . . . 0.0 109.103 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.19 -46.17 78.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -171.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -139.76 16.54 2.5 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -125.82 -62.48 1.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 120.733 -1.229 . . . . 0.0 109.944 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -35.59 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 123.959 0.904 . . . . 0.0 108.666 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 p -56.42 -20.24 18.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.75 1.22 . . . . 0.0 113.827 173.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -76.66 -22.86 53.47 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.498 1.045 . . . . 0.0 111.826 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -148.37 9.21 0.83 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -43.83 -39.96 4.17 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.991 1.716 . . . . 0.0 114.961 -170.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.56 -26.93 65.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.777 0.831 . . . . 0.0 112.85 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -75.6 -12.01 60.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.13 -178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.1 pt -132.32 171.68 17.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 120.16 1.345 . . . . 0.0 111.713 -169.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -62.01 123.8 19.08 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.551 0.74 . . . . 0.0 111.917 -172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.52 -26.72 68.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.703 0.801 . . . . 0.0 112.349 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.54 -29.09 61.24 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.563 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 m -67.95 -46.0 72.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.951 1.25 . . . . 0.0 110.285 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.32 -44.45 98.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 119.374 0.988 . . . . 0.0 110.392 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.81 -39.3 83.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.734 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.844 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -54.14 -37.36 64.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 122.559 2.436 . . . . 0.0 111.586 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.34 -55.79 21.72 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.51 -37.41 87.19 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.549 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.07 -60.12 4.33 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.377 1.471 . . . . 0.0 107.88 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.789 1.177 . . . . 0.0 111.221 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -67.98 -45.45 74.13 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.279 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 tp -80.04 -23.19 41.61 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.521 -0.737 . . . . 0.0 112.166 -175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.33 -35.1 41.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.479 0.581 . . . . 0.0 110.39 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.77 -34.17 71.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.195 0.452 . . . . 0.0 110.982 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -56.05 144.09 30.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.344 0.657 . . . . 0.0 109.981 170.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.3 62.75 6.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.972 0.909 . . . . 0.0 110.099 -170.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.86 164.25 34.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.67 1.188 . . . . 0.0 108.811 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -140.4 7.21 2.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.323 1.449 . . . . 0.0 111.977 -170.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.17 -32.66 1.37 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.135 1.374 . . . . 0.0 110.557 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -37.38 84.37 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 p -58.63 -48.11 82.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.737 0.815 . . . . 0.0 111.437 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -53.77 53.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.437 1.095 . . . . 0.0 109.665 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -64.15 -47.8 78.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.301 -0.381 . . . . 0.0 111.68 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -61.22 -45.74 93.32 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.313 0.645 . . . . 0.0 110.428 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.35 -28.18 31.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.044 -172.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.5 -44.81 93.25 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.791 1.178 . . . . 0.0 110.566 169.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.05 -43.31 87.87 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 122.757 0.423 . . . . 0.0 110.977 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -45.63 91.78 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.891 0.477 . . . . 0.0 109.841 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -55.74 -43.01 76.23 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.802 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.94 80.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.72 1.145 . . . . 0.0 111.462 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.73 -45.13 95.27 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.155 0.889 . . . . 0.0 110.372 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.98 -22.37 60.7 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.632 -0.668 . . . . 0.0 112.515 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -72.88 -33.97 66.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.223 0.919 . . . . 0.0 110.083 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -69.17 -46.54 67.27 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.85 0.75 . . . . 0.0 109.004 172.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.48 -9.35 41.36 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.514 0.726 . . . . 0.0 112.466 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.39 -23.82 58.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.145 0.884 . . . . 0.0 111.494 173.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.0 p -55.21 -54.99 36.44 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.982 0.913 . . . . 0.0 110.015 169.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -67.14 -37.56 84.03 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 123.559 0.744 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.88 -39.76 95.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 118.119 -0.944 . . . . 0.0 111.518 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.83 -37.83 0.11 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 -172.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -74.62 -19.32 60.34 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.187 1.812 . . . . 0.0 112.878 -169.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -53.66 -45.18 70.16 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.671 0.788 . . . . 0.0 109.665 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -166.85 117.21 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.595 1.158 . . . . 0.0 108.192 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 144.05 -46.5 0.82 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 107.869 -2.092 . . . . 0.0 107.869 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m 64.42 -19.63 0.07 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.96 2.504 . . . . 0.0 116.43 169.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -149.39 153.4 37.32 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.933 1.693 . . . . 0.0 107.395 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -155.93 156.82 35.23 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.726 1.61 . . . . 0.0 107.703 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -128.89 20.13 5.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 111.623 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.97 19.79 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.608 1.099 . . . . 0.0 111.099 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -140.92 159.01 43.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.649 1.18 . . . . 0.0 109.369 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 -104.64 0.24 Allowed Glycine 0 CA--C 1.521 0.441 0 N-CA-C 108.082 -2.007 . . . . 0.0 108.082 -172.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.85 -22.86 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.608 -0.711 . . . . 0.0 112.78 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.09 -52.97 63.17 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 110.246 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.85 -45.31 86.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.857 0.753 . . . . 0.0 110.575 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.53 -36.74 75.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.53 -38.7 92.14 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.768 -0.582 . . . . 0.0 111.339 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 m -67.88 -38.18 82.71 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.272 0.487 . . . . 0.0 111.388 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.33 -50.42 71.7 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.828 0.74 . . . . 0.0 109.527 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.96 -29.31 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.64 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.58 84.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.527 1.058 . . . . 0.0 110.093 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.1 ttm105 -59.29 -43.6 92.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.681 0.673 . . . . 0.0 110.133 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.9 m -61.62 -41.68 97.83 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.13 0.572 . . . . 0.0 110.85 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -67.12 -38.4 85.53 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.908 0.883 . . . . 0.0 111.507 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -32.57 73.52 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.4 0.68 . . . . 0.0 110.757 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 31.6 tp 66.69 -44.61 0.43 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.734 2.814 . . . . 0.0 115.863 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -140.68 10.52 2.24 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.325 0.966 . . . . 0.0 111.887 -171.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -63.39 140.47 58.88 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.363 -0.835 . . . . 0.0 109.14 171.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -158.83 168.09 27.73 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.789 1.635 . . . . 0.0 107.099 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.69 -37.92 63.72 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.575 0.75 . . . . 0.0 112.012 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.54 -38.43 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 118.765 0.711 . . . . 0.0 111.39 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -68.66 -43.57 75.91 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.24 -0.24 1.67 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 113.486 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -132.9 19.66 4.15 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.595 1.558 . . . . 0.0 110.093 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.84 -33.47 74.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.731 -0.606 . . . . 0.0 110.808 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 141.6 57.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.966 0.906 . . . . 0.0 109.326 171.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -144.09 168.0 21.04 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.11 1.364 . . . . 0.0 109.179 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -50.21 -42.23 51.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.434 1.494 . . . . 0.0 112.817 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -60.78 -20.13 60.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.925 1.29 . . . . 0.0 113.611 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.4 9.97 10.43 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.444 1.498 . . . . 0.0 110.63 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -113.35 -34.27 5.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.612 1.165 . . . . 0.0 109.987 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -57.45 -26.15 60.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.092 0.86 . . . . 0.0 112.774 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -58.47 -22.51 54.98 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.554 1.142 . . . . 0.0 112.523 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.75 -15.09 61.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.203 1.001 . . . . 0.0 112.04 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.22 -159.48 0.97 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.716 1.206 . . . . 0.0 109.901 -169.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -66.44 146.24 54.78 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.221 1.408 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.247 0.969 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.702 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.81 159.99 41.17 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.249 1.42 . . . . 0.0 107.975 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 5' ' ' HIS . 9.6 t30 -160.23 150.73 18.56 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.97 0.908 . . . . 0.0 109.196 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -47.74 -42.25 24.95 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.565 1.546 . . . . 0.0 113.68 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' H ' ' ND2' ' A' ' 3' ' ' ASN . 3.5 m-70 -71.04 -42.36 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.61 1.095 . . . . 0.0 110.972 -169.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.54 -47.87 71.49 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE2' ' A' ' 33' ' ' TYR . 22.9 mm -60.37 -36.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.992 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.15 -28.54 62.29 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.856 1.207 . . . . 0.0 111.345 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.43 94.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 170.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' A' ' 64' ' ' ASN . 87.4 mt -62.33 -48.53 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -45.36 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 0.0 110.773 -174.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -64.62 -38.22 90.26 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 117.509 -1.234 . . . . 0.0 112.101 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 24.3 m -64.98 -43.18 93.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.646 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -48.77 79.55 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 123.223 0.609 . . . . 0.0 109.863 172.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -60.95 -47.41 86.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.712 0.687 . . . . 0.0 111.482 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.5 ptm -63.1 -25.41 68.35 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.89 -18.29 13.43 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 134.73 57.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.125 0.97 . . . . 0.0 109.534 171.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.58 145.27 97.48 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.169 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.62 -28.67 17.39 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.34 2.693 . . . . 0.0 115.358 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -64.22 -38.25 90.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.095 0.861 . . . . 0.0 111.246 175.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 20.3 mt -85.62 -34.69 21.32 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.757 1.223 . . . . 0.0 110.95 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -44.14 -45.38 20.17 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 -168.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.93 -32.83 69.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.889 2.393 . . . . 0.0 114.005 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.94 -40.3 56.93 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.644 0.778 . . . . 0.0 111.345 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -76.64 -20.28 56.87 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -169.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.49 -43.64 84.84 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.249 0.931 . . . . 0.0 108.836 169.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -67.6 -44.39 78.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.308 0.643 . . . . 0.0 109.608 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -56.8 -44.51 82.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.829 1.251 . . . . 0.0 110.139 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.75 -55.75 30.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.999 0.363 . . . . 0.0 110.305 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -68.05 -34.73 77.01 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.456 -173.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -69.36 -34.14 74.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.341 -0.838 . . . . 0.0 111.292 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 7' ' ' ILE . 2.1 t80 -63.42 -48.65 76.91 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.623 1.101 . . . . 0.0 108.873 169.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.35 -39.28 90.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.013 0.525 . . . . 0.0 111.426 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.27 14.07 7.07 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 60.45 39.69 18.07 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.624 1.57 . . . . 0.0 112.105 173.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 23.1 mt -106.66 67.73 0.72 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 122.302 1.049 . . . . 0.0 109.351 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -53.07 -44.72 67.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 112.939 -1.937 . . . . 0.0 111.114 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -67.43 -51.41 51.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.38 80.3 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.776 0.83 . . . . 0.0 111.072 178.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.16 -40.54 67.56 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.761 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -75.37 -33.8 61.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.492 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -61.92 -38.74 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.549 1.522 . . . . 0.0 109.148 171.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -66.4 -51.88 52.4 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -55.95 -40.04 72.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.647 0.779 . . . . 0.0 110.626 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -62.19 -52.06 65.32 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.262 1.025 . . . . 0.0 111.68 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -60.64 -37.1 80.38 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 120.623 1.556 . . . . 0.0 111.582 -173.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -83.51 -15.41 49.48 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.73 0.695 . . . . 0.0 112.497 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.28 -40.55 58.58 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 168.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.76 -29.84 67.27 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.96 0.904 . . . . 0.0 111.129 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -10.11 24.22 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.548 1.139 . . . . 0.0 112.871 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 61.12 9.21 2.31 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 127.647 2.379 . . . . 0.0 115.928 170.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 47.1 mmtt -62.33 132.01 51.22 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 169.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m 46.73 56.72 6.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.321 1.048 . . . . 0.0 113.493 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.9 m -33.29 -61.93 0.35 Allowed Pre-proline 0 CA--C 1.554 1.117 0 CA-C-O 116.981 -1.485 . . . . 0.0 114.86 -171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.63 3.14 5.1 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.511 2.807 . . . . 0.0 115.842 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.28 -30.83 7.86 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.963 1.305 . . . . 0.0 111.377 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -16.73 61.93 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.103 1.361 . . . . 0.0 114.448 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.98 -43.93 98.11 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 121.133 1.788 . . . . 0.0 112.559 -169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -60.54 -39.15 86.83 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.615 0.643 . . . . 0.0 110.798 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.15 -45.93 79.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 117.739 -1.124 . . . . 0.0 109.541 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -46.6 85.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.72 1.146 . . . . 0.0 109.977 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.9 -41.23 74.98 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 10' ' ' ILE . 64.6 t30 -131.16 -2.02 4.01 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -120.15 -63.28 1.38 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.904 1.229 . . . . 0.0 109.117 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.14 -27.86 43.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.024 1.33 . . . . 0.0 109.457 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -56.9 -27.4 60.66 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.237 1.015 . . . . 0.0 113.246 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.5 -10.16 59.32 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.426 -0.796 . . . . 0.0 112.097 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -146.34 32.53 0.98 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.406 1.082 . . . . 0.0 111.71 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -41.18 -51.76 3.43 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.273 1.429 . . . . 0.0 113.052 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -86.91 -11.19 51.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.31 -10.29 59.29 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.427 -0.796 . . . . 0.0 111.857 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.8 pt -134.97 177.74 6.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.525 1.13 . . . . 0.0 110.211 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -62.93 118.33 7.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -34.37 72.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.157 0.983 . . . . 0.0 111.452 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.94 -24.69 55.5 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 117.123 -1.418 . . . . 0.0 110.696 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.4 m -66.81 -51.3 57.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 121.531 1.969 . . . . 0.0 109.733 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.97 -45.44 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 118.409 0.55 . . . . 0.0 111.319 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . 0.265 6.7 t -72.38 -29.57 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 117.269 -1.348 . . . . 0.0 109.984 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.68 -37.98 80.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 122.06 2.209 . . . . 0.0 111.652 171.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -56.62 -47.37 79.83 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.079 0.854 . . . . 0.0 109.258 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.85 -46.94 87.28 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 117.83 -1.081 . . . . 0.0 111.42 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.99 -63.93 0.95 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.782 1.233 . . . . 0.0 109.433 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.31 80.21 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.011 -169.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -60.57 -49.39 77.74 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -82.86 -25.42 32.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.887 -171.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.555 0.616 . . . . 0.0 109.434 169.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.3 -31.66 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.571 0.623 . . . . 0.0 112.079 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -53.37 152.14 4.92 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.68 0.753 . . . . 0.0 112.586 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.1 24.54 0.08 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.654 1.582 . . . . 0.0 114.313 -175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -141.88 153.21 44.27 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 125.046 1.338 . . . . 0.0 108.37 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -135.34 20.79 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.362 1.065 . . . . 0.0 111.623 -171.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.85 -39.71 2.24 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.739 1.215 . . . . 0.0 109.979 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.72 -33.11 66.18 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -49.74 -49.35 48.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.907 1.283 . . . . 0.0 112.034 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.76 -43.07 69.55 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -59.59 -51.48 69.64 Favored 'General case' 0 CA--C 1.527 0.067 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -67.27 -44.07 80.28 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.7 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.33 -43.95 76.42 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 120.103 1.319 . . . . 0.0 109.13 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.38 -38.72 92.04 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.233 0.47 . . . . 0.0 110.162 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.64 -41.33 84.03 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.624 -0.672 . . . . 0.0 111.902 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.36 -40.23 89.64 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.456 -0.778 . . . . 0.0 109.706 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -55.01 -42.77 72.96 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.295 169.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.26 83.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.976 1.262 . . . . 0.0 110.832 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -58.98 -46.26 88.54 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.274 0.943 . . . . 0.0 110.178 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -70.34 -32.77 70.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.752 -0.593 . . . . 0.0 112.358 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -62.57 -29.91 70.93 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.986 1.314 . . . . 0.0 110.895 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -83.9 -22.9 31.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.372 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -80.51 -27.06 37.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.989 0.813 . . . . 0.0 110.751 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.67 -40.47 69.11 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.61 1.164 . . . . 0.0 112.275 -171.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -70.15 -1.08 9.06 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -118.53 -45.32 2.62 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 124.579 1.152 . . . . 0.0 110.027 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -76.01 -20.32 57.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -137.65 -164.81 1.67 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.995 2.118 . . . . 0.0 107.229 171.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 55.54 30.18 14.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.443 1.497 . . . . 0.0 112.112 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.7 -25.0 64.42 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.665 -0.647 . . . . 0.0 110.984 171.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -129.39 166.15 20.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 127.764 2.425 . . . . 0.0 106.17 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.92 16.73 0.21 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.721 1.153 . . . . 0.0 114.625 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.6 m -51.53 131.53 29.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.081 2.153 . . . . 0.0 109.983 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -66.59 175.88 2.15 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.109 0.564 . . . . 0.0 111.175 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.57 142.26 57.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 109.495 169.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -145.44 24.32 1.41 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.786 1.235 . . . . 0.0 110.181 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.46 -156.8 7.25 Favored Glycine 0 CA--C 1.525 0.688 0 O-C-N 121.251 -0.905 . . . . 0.0 111.792 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -144.62 158.34 43.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.417 1.487 . . . . 0.0 108.318 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.16 -97.78 0.17 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 107.04 -2.424 . . . . 0.0 107.04 -172.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -63.03 -22.65 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 118.396 -0.811 . . . . 0.0 112.754 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.06 -51.71 68.17 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.304 0.957 . . . . 0.0 110.827 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.06 -44.57 87.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.667 0.667 . . . . 0.0 110.707 173.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.33 -43.11 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 119.015 0.825 . . . . 0.0 109.476 -175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.89 -41.4 99.41 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.534 0.734 . . . . 0.0 111.005 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.5 m -63.49 -36.44 83.77 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.841 0.456 . . . . 0.0 110.647 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -66.79 -46.9 73.78 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.563 0.62 . . . . 0.0 110.534 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -36.33 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.229 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.396 0.998 . . . . 0.0 110.872 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -58.53 -42.91 88.85 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.429 -0.794 . . . . 0.0 110.482 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -66.42 -25.04 66.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.303 0.641 . . . . 0.0 110.98 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -76.86 -46.48 24.48 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.925 -1.109 . . . . 0.0 110.326 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.24 -31.7 70.44 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.111 0.964 . . . . 0.0 111.43 -176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.8 tp -51.13 -29.29 13.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.645 1.178 . . . . 0.0 112.789 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -81.87 -5.37 58.19 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.134 0.973 . . . . 0.0 112.331 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -58.45 146.01 36.68 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.326 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -80.03 57.58 2.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.139 1.376 . . . . 0.0 110.324 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.7 tp -51.26 -24.71 4.72 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 127.337 2.255 . . . . 0.0 114.901 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.31 -25.55 20.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.443 1.02 . . . . 0.0 112.458 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -66.52 -2.87 5.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.269 0.941 . . . . 0.0 113.44 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -132.63 19.61 4.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.253 1.421 . . . . 0.0 111.128 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -123.91 136.74 54.53 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.68 -28.05 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.908 2.483 . . . . 0.0 115.155 -172.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.8 tp -147.76 153.62 39.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.74 2.016 . . . . 0.0 107.63 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 51.1 tp -151.72 149.67 29.33 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.864 2.066 . . . . 0.0 105.544 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.01 152.81 46.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.664 0.785 . . . . 0.0 109.259 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -57.63 -23.42 51.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.829 1.252 . . . . 0.0 113.183 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.51 -21.66 60.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.37 1.068 . . . . 0.0 112.415 172.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 69.1 -40.01 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 128.364 2.665 . . . . 0.0 111.865 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -78.52 59.07 2.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.197 1.399 . . . . 0.0 108.256 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -51.57 147.22 6.53 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.987 1.315 . . . . 0.0 110.827 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -148.27 173.31 13.15 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 127.259 2.223 . . . . 0.0 107.242 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.51 106.42 0.39 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.247 0.619 . . . . 0.0 109.979 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -157.03 151.74 25.66 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.681 1.593 . . . . 0.0 107.462 -171.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.247 0.965 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 176.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.969 -0.012 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -140.25 127.98 21.77 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.851 0.861 . . . . 0.0 109.382 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -155.76 135.74 12.84 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -150.8 160.24 44.0 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 170.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -55.32 -30.82 60.97 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.366 1.466 . . . . 0.0 112.048 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.58 -42.89 89.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 118.611 0.641 . . . . 0.0 111.207 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.4 mt -85.3 -29.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 118.493 -0.765 . . . . 0.0 111.073 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.3 -37.77 81.58 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.299 0.954 . . . . 0.0 109.942 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -62.92 -50.2 71.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.169 0.987 . . . . 0.0 110.746 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.24 -46.48 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 120.182 1.355 . . . . 0.0 109.86 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.04 -49.21 78.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.715 0.689 . . . . 0.0 110.393 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 m -66.92 -37.15 83.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.074 -0.489 . . . . 0.0 111.431 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -69.56 -48.9 58.75 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.844 0.747 . . . . 0.0 109.836 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.27 -38.35 90.0 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.161 -0.962 . . . . 0.0 110.147 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.33 -41.51 98.9 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.736 1.153 . . . . 0.0 111.473 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.39 -32.71 70.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.852 1.205 . . . . 0.0 110.697 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.27 4.7 tp10 -82.29 -33.23 29.17 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.283 1.833 . . . . 0.0 111.069 -174.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.02 157.55 33.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 122.878 1.323 . . . . 0.0 112.815 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.15 139.56 90.19 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.357 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.86 -34.0 21.01 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.602 2.868 . . . . 0.0 115.386 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 p -62.25 -23.24 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.786 0.721 . . . . 0.0 112.832 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -87.87 -15.73 35.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.064 0.946 . . . . 0.0 112.088 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -52.94 -48.31 92.12 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.832 -172.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -65.52 -32.13 49.58 Favored 'Trans proline' 0 C--N 1.353 0.767 0 CA-C-N 122.225 1.83 . . . . 0.0 112.792 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.44 -36.19 71.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.635 0.652 . . . . 0.0 110.598 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.33 -13.26 61.08 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.281 -0.866 . . . . 0.0 113.056 -176.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.42 -45.49 69.08 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 120.352 1.433 . . . . 0.0 109.231 173.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.01 -38.74 79.42 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 82.6 t80 -59.77 -49.84 76.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.815 0.446 . . . . 0.0 111.004 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -56.5 -52.41 64.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 109.932 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.36 -56.18 25.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.63 -29.09 68.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.09 -173.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -64.66 -45.25 87.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 121.399 1.909 . . . . 0.0 109.851 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.55 -37.34 85.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.865 0.302 . . . . 0.0 110.94 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -80.32 3.96 19.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.712 1.605 . . . . 0.0 112.764 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.6 tttt 60.8 21.98 12.04 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.21 1.404 . . . . 0.0 112.068 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.84 61.8 5.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.361 1.464 . . . . 0.0 109.986 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -44.88 -36.21 3.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.906 1.282 . . . . 0.0 113.807 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.24 -46.33 61.27 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.539 -0.726 . . . . 0.0 111.356 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.29 -27.86 56.78 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.632 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 69' ' ' PHE . 42.5 tp -58.9 -43.6 91.06 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.524 0.73 . . . . 0.0 109.292 169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -68.22 -35.6 78.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.661 173.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -35.43 80.57 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 120.687 1.585 . . . . 0.0 110.538 174.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -63.34 -46.35 86.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -59.44 -33.8 71.72 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.436 170.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -70.56 -45.51 65.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.256 0.935 . . . . 0.0 109.834 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -64.74 -35.55 81.44 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 120.921 -1.112 . . . . 0.0 110.928 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -61.8 -51.51 67.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.527 0.731 . . . . 0.0 109.652 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 80' ' ' LYS . 16.4 t80 -57.26 -32.86 67.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.22 1.408 . . . . 0.0 112.475 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.6 -19.9 62.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.334 0.654 . . . . 0.0 112.33 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -106.16 111.03 23.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -14.88 9.26 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -55.6 -28.59 56.02 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.711 1.142 . . . . 0.0 111.183 171.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p -70.81 -27.47 63.91 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.362 46.8 m -42.86 -62.73 1.17 Allowed Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 116.414 2.005 . . . . 0.0 116.414 -168.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 80.9 Cg_exo -55.86 -29.93 74.75 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.483 2.122 . . . . 0.0 114.858 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.73 -32.5 71.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.791 0.723 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -70.15 -11.62 61.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.359 -169.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.26 -43.71 92.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.449 1.477 . . . . 0.0 109.912 170.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -67.22 -41.88 84.99 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -56.87 -51.8 67.64 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.027 1.331 . . . . 0.0 109.593 178.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.1 -52.99 62.57 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.801 -0.562 . . . . 0.0 110.656 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.35 -29.22 67.9 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.46 -12.46 8.57 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -169.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -125.38 -63.6 1.13 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.872 0.76 . . . . 0.0 109.168 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -25.57 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.584 1.084 . . . . 0.0 110.678 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.7 p -54.54 -17.53 3.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.447 1.099 . . . . 0.0 113.808 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.99 -20.41 28.93 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.532 1.06 . . . . 0.0 113.059 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 28.7 p90 -148.47 13.47 0.95 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.99 -35.42 10.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.36 1.064 . . . . 0.0 112.555 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -67.6 -23.65 65.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.071 0.949 . . . . 0.0 113.143 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -84.14 -8.17 59.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.954 1.252 . . . . 0.0 112.519 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.36 -179.69 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.615 1.098 . . . . 0.0 110.671 -171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -70.7 128.41 35.97 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.417 0.687 . . . . 0.0 110.454 -173.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.47 -39.0 72.46 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.541 1.136 . . . . 0.0 111.543 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' HG22 ' A' ' 79' ' ' VAL . 56.1 mt -72.62 -29.91 63.89 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.513 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.7 m -61.65 -51.87 66.69 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.46 1.482 . . . . 0.0 110.28 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m -63.59 -44.07 98.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.316 -175.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 76' ' ' LEU . 24.9 m -66.63 -40.44 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.283 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 49' ' ' PHE . 86.3 tttt -59.36 -41.39 89.13 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 122.354 2.343 . . . . 0.0 111.975 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -65.14 -55.46 18.52 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.97 -43.92 73.92 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.741 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.3 -57.1 13.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 126.045 1.738 . . . . 0.0 110.345 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.35 83.08 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.836 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -64.82 -42.62 94.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.78 0.718 . . . . 0.0 112.267 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.96 -34.13 38.96 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 127.217 2.207 . . . . 0.0 111.76 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.26 -30.48 66.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.16 0.584 . . . . 0.0 109.535 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.72 -27.0 61.79 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.556 0.616 . . . . 0.0 112.079 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 m -55.29 148.66 14.24 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.975 0.807 . . . . 0.0 110.85 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -88.02 32.51 0.75 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.564 0.746 . . . . 0.0 111.436 -169.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -153.19 158.47 41.8 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.138 1.775 . . . . 0.0 107.641 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.91 -5.94 3.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 112.777 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -79.19 -35.36 41.95 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 174.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.36 -39.46 79.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 m -62.04 -37.77 86.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.343 0.657 . . . . 0.0 112.153 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.22 -47.3 83.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.953 0.901 . . . . 0.0 109.907 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.67 -51.52 68.08 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.284 0.493 . . . . 0.0 110.384 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -54.64 -54.0 47.28 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.288 0.635 . . . . 0.0 111.343 -172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 133' ' ' ILE . 5.4 mp -84.24 -24.05 30.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.356 -169.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.53 -43.12 95.0 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.956 1.253 . . . . 0.0 110.373 170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.35 -43.82 80.54 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.105 -0.372 . . . . 0.0 111.077 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.83 -41.04 88.1 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.934 -0.479 . . . . 0.0 110.799 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -56.06 -46.21 79.02 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.296 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.79 86.37 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.918 0.781 . . . . 0.0 110.974 -176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -59.75 -46.09 90.24 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.644 1.111 . . . . 0.0 110.43 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -70.62 -15.68 62.76 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -83.98 -32.77 24.81 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.863 0.865 . . . . 0.0 109.711 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.65 -34.67 76.11 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.226 -0.921 . . . . 0.0 109.48 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.1 3.61 19.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.168 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.73 -47.36 82.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.868 1.213 . . . . 0.0 110.827 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 p -72.62 -0.23 12.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.963 1.305 . . . . 0.0 113.053 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -110.67 -39.84 4.75 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.463 1.105 . . . . 0.0 109.993 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -142.44 3.51 1.51 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -130.51 34.84 4.1 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.881 1.219 . . . . 0.0 109.045 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.82 -7.27 55.14 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.879 1.672 . . . . 0.0 113.91 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.97 -60.27 0.3 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 127.631 2.372 . . . . 0.0 111.072 -168.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.61 121.46 11.64 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.2 -45.96 2.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.531 1.062 . . . . 0.0 112.43 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.3 m -64.53 -23.62 67.33 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.092 0.946 . . . . 0.0 113.306 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 48.4 53.36 12.09 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.132 1.373 . . . . 0.0 110.543 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.74 168.45 23.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.95 2.1 . . . . 0.0 107.647 -170.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -130.37 27.17 5.07 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.068 1.347 . . . . 0.0 110.55 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.34 71.73 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.962 0.792 . . . . 0.0 111.161 -172.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.37 -33.72 74.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.923 1.362 . . . . 0.0 111.089 -172.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.95 -6.94 33.92 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 117.984 -1.453 . . . . 0.0 114.145 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.4 pt -127.38 -21.45 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 119.562 1.681 . . . . 0.0 112.857 169.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.94 -38.06 89.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 120.548 1.522 . . . . 0.0 110.365 169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.69 -48.86 79.98 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.05 -35.7 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -43.26 99.2 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.095 0.861 . . . . 0.0 110.944 174.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.5 m -67.44 -37.48 83.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -65.38 -45.19 85.02 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.109 0.964 . . . . 0.0 109.819 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 133' ' ' ILE . 7.7 mm -63.26 -42.02 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.455 174.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.21 78.73 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.734 1.152 . . . . 0.0 110.344 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.4 mtm105 -61.35 -43.1 99.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.032 -0.509 . . . . 0.0 111.035 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.1 m -59.99 -44.67 94.36 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.694 0.679 . . . . 0.0 110.578 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.25 -37.05 82.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.534 0.733 . . . . 0.0 111.245 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.75 -29.57 66.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.852 0.861 . . . . 0.0 111.659 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.39 134.37 50.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.286 1.034 . . . . 0.0 111.802 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -65.59 159.37 24.84 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 169.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -50.92 -38.05 47.83 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.812 0.845 . . . . 0.0 113.137 -175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -148.21 74.55 1.3 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.93 118.3 7.06 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.06 159.62 13.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 126.828 2.051 . . . . 0.0 105.881 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.23 -31.32 63.41 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.779 -0.576 . . . . 0.0 112.233 -175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.29 -19.43 65.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -65.02 149.82 49.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.01 1.277 . . . . 0.0 110.328 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.16 169.29 24.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.415 1.886 . . . . 0.0 107.33 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.54 -42.6 67.64 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 110.863 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.0 tp -105.96 98.2 7.92 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -155.12 164.26 39.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.965 1.306 . . . . 0.0 109.17 -171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -51.95 -19.63 1.91 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.768 2.027 . . . . 0.0 114.537 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.71 -12.67 7.49 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.99 0.813 . . . . 0.0 112.808 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.56 147.96 45.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.935 1.294 . . . . 0.0 108.089 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -64.44 167.7 6.66 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.153 0.581 . . . . 0.0 110.188 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.5 p -73.3 40.24 0.1 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.074 1.75 . . . . 0.0 111.75 173.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.19 107.04 1.82 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.231 1.412 . . . . 0.0 108.848 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.51 151.86 45.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.225 1.01 . . . . 0.0 110.122 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -141.91 157.49 44.91 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.426 1.09 . . . . 0.0 109.484 -171.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.604 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 119.135 -0.459 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -82.64 -35.02 27.32 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.714 0.688 . . . . 0.0 109.886 171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -62.78 138.26 58.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -151.48 176.42 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.062 1.745 . . . . 0.0 107.076 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -54.16 -32.57 55.78 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -170.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -67.1 -52.7 38.62 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 118.837 0.744 . . . . 0.0 109.681 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.83 -29.65 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 O-C-N 121.728 -0.608 . . . . 0.0 110.458 -174.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.91 -36.39 83.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.219 0.918 . . . . 0.0 110.858 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -44.72 90.26 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.516 0.726 . . . . 0.0 109.975 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -59.36 -54.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.181 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.12 -45.9 89.71 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 118.153 0.433 . . . . 0.0 110.366 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -66.24 -45.43 80.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.746 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' ' 16' ' ' MET . 23.3 m -67.59 -45.37 75.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.304 0.957 . . . . 0.0 110.129 -177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.99 -38.13 87.71 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.754 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -61.2 -50.91 71.2 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.491 1.496 . . . . 0.0 111.037 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 13' ' ' THR . 11.6 ptm -59.28 -22.81 61.74 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.58 -22.31 12.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.466 1.03 . . . . 0.0 113.716 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 167.77 14.0 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.557 1.543 . . . . 0.0 111.489 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.35 131.43 65.55 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.597 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -50.89 -26.99 19.43 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.702 2.935 . . . . 0.0 115.906 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 m -60.18 -22.36 62.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.113 0.87 . . . . 0.0 112.247 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.1 mt -80.1 -21.22 43.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.662 0.785 . . . . 0.0 112.532 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -63.74 -39.01 42.69 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-O 116.454 -1.736 . . . . 0.0 115.196 -169.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -56.81 -43.26 56.24 Favored 'Trans proline' 0 C--N 1.35 0.631 0 CA-C-N 122.614 1.969 . . . . 0.0 112.86 176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.69 -44.03 97.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.663 -0.648 . . . . 0.0 110.171 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -25.9 65.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -172.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.74 -37.72 85.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.372 0.987 . . . . 0.0 111.179 169.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.69 -41.04 60.96 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.793 -0.567 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -56.89 -50.13 73.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.752 0.821 . . . . 0.0 110.24 172.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.71 -52.73 62.88 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.614 1.166 . . . . 0.0 110.499 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -55.8 -53.28 58.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.758 0.823 . . . . 0.0 110.67 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -64.68 -28.93 69.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 117.524 -1.227 . . . . 0.0 112.654 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -68.75 -47.96 64.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 121.018 1.735 . . . . 0.0 110.356 169.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.38 -38.26 71.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.899 0.88 . . . . 0.0 111.387 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.31 11.6 32.01 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.105 . . . . 0.0 112.261 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 65.79 20.41 11.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.207 1.403 . . . . 0.0 113.772 172.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.7 mm? -87.88 67.78 9.15 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 120.775 -1.203 . . . . 0.0 109.189 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -45.98 -38.87 8.2 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.983 1.313 . . . . 0.0 112.931 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -71.95 -49.11 40.26 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.968 -0.457 . . . . 0.0 110.334 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -68.09 -34.92 77.3 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.999 0.818 . . . . 0.0 110.532 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.26 -45.07 72.33 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.504 1.122 . . . . 0.0 110.065 169.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.0 m -65.59 -37.17 85.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.737 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.01 -44.19 93.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.198 1.363 . . . . 0.0 109.399 175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -61.23 -42.48 98.69 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.366 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.67 -29.9 66.36 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.163 0.585 . . . . 0.0 111.239 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.9 m -66.95 -43.16 83.86 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.395 0.998 . . . . 0.0 109.825 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.01 -37.6 83.11 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.461 1.028 . . . . 0.0 110.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.12 -36.71 85.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.542 0.737 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -28.61 63.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.116 1.366 . . . . 0.0 113.096 175.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.43 -1.65 13.86 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -169.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.47 153.55 51.71 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.966 -1.083 . . . . 0.0 109.411 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.37 -15.8 63.89 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.527 -1.225 . . . . 0.0 113.779 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -38.34 -50.91 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.901 1.28 . . . . 0.0 113.491 -174.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 p -95.54 -56.27 2.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.945 0.498 . . . . 0.0 111.334 -169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.417 6.0 m 37.13 -100.13 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.095 0 CA-C-O 114.757 -2.544 . . . . 0.0 113.426 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -50.44 -32.27 33.67 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 126.203 3.251 . . . . 0.0 115.56 174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -34.5 49.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.601 1.56 . . . . 0.0 110.454 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -76.11 -12.37 60.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.068 0.947 . . . . 0.0 113.151 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.17 -48.9 66.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.375 1.443 . . . . 0.0 109.648 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -65.39 -34.66 78.84 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 118.656 -0.688 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.31 -48.43 74.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.74 -59.85 3.49 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.287 0.949 . . . . 0.0 111.015 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.53 -33.31 63.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -167.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 10.84 3.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -129.13 -56.87 1.17 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.376 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.4 -33.87 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.993 1.724 . . . . 0.0 110.284 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 p -54.69 -21.13 9.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 113.544 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -72.73 -19.95 61.29 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.29 -0.881 . . . . 0.0 111.822 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -149.07 20.13 0.98 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.526 1.057 . . . . 0.0 112.552 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.29 -33.15 52.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.026 0.93 . . . . 0.0 113.092 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.67 -30.42 63.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.64 1.576 . . . . 0.0 113.321 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -84.32 -9.41 58.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 118.272 -0.87 . . . . 0.0 113.007 -169.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.6 pt -137.33 172.65 14.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.292 0.951 . . . . 0.0 111.343 -169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -64.45 133.13 51.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.866 0.867 . . . . 0.0 112.079 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -56.67 -55.64 31.49 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.243 1.017 . . . . 0.0 110.228 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.5 mt -56.07 -34.4 65.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.215 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.99 -50.41 72.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.083 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.09 -44.27 99.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 118.998 0.817 . . . . 0.0 110.647 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.6 -36.41 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 116.544 -1.693 . . . . 0.0 110.248 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -58.47 -39.49 80.09 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 122.3 2.318 . . . . 0.0 111.739 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.35 -54.35 38.22 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 tp -56.93 -47.11 81.41 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.126 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.85 -47.49 70.93 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 126.521 1.928 . . . . 0.0 110.412 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.56 98.14 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.889 0.768 . . . . 0.0 110.971 -177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 m -64.92 -42.95 94.28 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.895 0.855 . . . . 0.0 111.776 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.88 -33.21 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.112 1.765 . . . . 0.0 111.504 -170.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -64.8 -48.93 72.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.597 0.759 . . . . 0.0 109.156 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.5 -22.27 66.18 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 m -68.35 -14.46 63.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.814 0.846 . . . . 0.0 113.104 172.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 46.41 49.26 13.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.159 1.784 . . . . 0.0 112.418 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -135.35 98.7 4.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -74.63 -25.72 59.41 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.952 0.501 . . . . 0.0 111.917 -172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.18 -43.18 64.96 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.647 0.658 . . . . 0.0 109.563 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -37.44 87.47 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.019 -0.426 . . . . 0.0 110.045 172.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.0 m -60.83 -45.9 92.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.175 0.443 . . . . 0.0 111.363 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.22 -51.54 67.69 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.669 1.188 . . . . 0.0 109.665 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.5 -49.66 76.92 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 122.66 0.384 . . . . 0.0 110.888 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.79 -49.33 78.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.778 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CB ' HD11 ' A' ' 133' ' ' ILE . 7.1 mp -85.26 -24.19 27.87 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.379 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.19 -44.93 86.81 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.767 1.167 . . . . 0.0 109.803 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.26 -44.3 75.88 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.507 0.323 . . . . 0.0 111.406 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.0 tp -69.13 -38.15 78.7 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.693 -0.629 . . . . 0.0 110.945 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 130' ' ' ASP . 24.8 tttm -57.52 -47.16 82.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-O 117.966 -1.016 . . . . 0.0 108.925 169.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.53 93.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.01 0.823 . . . . 0.0 111.025 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.19 -45.29 75.82 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.127 0.876 . . . . 0.0 111.089 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -70.25 -43.35 70.73 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.738 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -58.34 -33.04 69.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.216 1.006 . . . . 0.0 111.674 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.71 -41.61 83.26 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.518 0.599 . . . . 0.0 110.999 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.47 -27.94 59.05 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 122.865 0.466 . . . . 0.0 111.577 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.24 -65.63 0.53 Allowed 'General case' 0 C--O 1.232 0.142 0 C-N-CA 126.476 1.91 . . . . 0.0 112.109 -169.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.22 -24.68 51.23 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.72 0.408 . . . . 0.0 111.589 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -66.97 -44.04 81.51 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.206 0.602 . . . . 0.0 111.144 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -148.08 -20.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -79.69 -176.07 5.17 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.426 1.466 . . . . 0.0 109.845 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 65.19 20.85 12.03 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.356 1.462 . . . . 0.0 112.897 170.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -76.56 70.43 3.09 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.52 1.128 . . . . 0.0 109.774 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.0 t30 45.55 51.5 9.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.373 1.869 . . . . 0.0 112.282 -175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.34 33.39 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.157 0.884 . . . . 0.0 111.958 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.0 m -144.93 33.02 1.12 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.728 1.211 . . . . 0.0 111.473 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -56.74 -26.96 58.42 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.239 0.615 . . . . 0.0 112.162 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -121.97 -39.17 2.63 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.111 0.965 . . . . 0.0 110.909 170.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -61.73 -16.49 49.74 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.52 -28.85 68.24 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.335 0.97 . . . . 0.0 111.978 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.94 -14.33 61.43 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.543 0.737 . . . . 0.0 112.214 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -48.65 -64.67 3.04 Favored Glycine 0 C--N 1.342 0.865 0 C-N-CA 125.331 1.443 . . . . 0.0 113.466 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.8 pt -73.74 -16.6 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.173 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.44 -39.55 70.96 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 121.384 1.902 . . . . 0.0 109.689 172.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.52 -43.97 97.9 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.4 mt -65.0 -37.36 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 118.84 0.745 . . . . 0.0 109.566 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . 7.5 t70 -62.75 -39.38 93.94 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.159 -0.963 . . . . 0.0 110.691 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.97 66.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.594 0.758 . . . . 0.0 111.091 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -69.02 -40.59 78.56 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.388 -0.82 . . . . 0.0 109.379 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 99' ' ' LEU . 15.5 mm -63.61 -40.36 88.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 118.82 -0.609 . . . . 0.0 110.555 171.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.77 94.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.594 1.088 . . . . 0.0 111.025 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.542 -0.723 . . . . 0.0 111.122 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 28.4 m -64.11 -44.83 91.07 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.888 0.767 . . . . 0.0 109.739 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -62.41 -38.99 91.82 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.122 0.874 . . . . 0.0 111.46 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.76 -42.86 99.88 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.743 -0.598 . . . . 0.0 109.976 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.6 tp -69.11 -35.9 76.93 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.641 0.777 . . . . 0.0 111.919 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -143.72 111.25 5.93 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.597 0.759 . . . . 0.0 109.762 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -149.51 165.77 31.17 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.278 1.831 . . . . 0.0 107.204 170.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.68 156.18 17.37 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.375 0.67 . . . . 0.0 110.324 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.54 115.29 3.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.405 1.082 . . . . 0.0 109.815 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.65 161.09 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.947 0.899 . . . . 0.0 110.745 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -148.36 159.18 44.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.867 1.267 . . . . 0.0 108.305 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -134.61 -179.2 5.45 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.898 1.679 . . . . 0.0 108.884 172.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -146.99 140.36 25.49 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.95 -37.35 87.36 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.809 0.443 . . . . 0.0 111.3 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.25 78.46 3.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.87 155.51 19.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.732 0.813 . . . . 0.0 109.26 173.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.91 -26.65 48.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.565 1.146 . . . . 0.0 113.328 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.86 148.23 31.63 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.02 1.328 . . . . 0.0 107.863 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.04 31.49 2.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.027 1.331 . . . . 0.0 110.19 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -130.38 -40.2 1.28 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.996 0.918 . . . . 0.0 110.308 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -60.15 -22.89 63.43 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.329 -0.857 . . . . 0.0 111.05 170.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -66.33 -13.66 60.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.923 1.689 . . . . 0.0 113.12 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.02 -179.57 6.45 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.582 1.153 . . . . 0.0 110.97 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 33.1 t70 64.09 -25.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 128.706 2.802 . . . . 0.0 115.546 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -139.65 162.13 35.84 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.409 1.883 . . . . 0.0 108.407 173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.25 1.096 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.222 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -73.41 160.43 31.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.885 -0.51 . . . . 0.0 109.804 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 45.11 37.63 2.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.293 1.837 . . . . 0.0 113.149 -173.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -70.1 178.79 2.6 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.206 1.403 . . . . 0.0 110.909 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.69 -36.35 69.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.099 0.96 . . . . 0.0 113.38 -173.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.79 -39.37 76.64 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.179 1.354 . . . . 0.0 109.964 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 -44.05 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.79 -40.17 96.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 111.929 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.05 -39.14 69.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.9 -45.42 94.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 CA-C-N 119.365 0.984 . . . . 0.0 109.036 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -47.62 81.93 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.922 0.783 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -67.56 -33.67 75.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.468 0.707 . . . . 0.0 112.579 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 m -70.07 -45.31 67.3 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.393 0.997 . . . . 0.0 109.972 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.1 -47.05 86.67 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.396 -0.815 . . . . 0.0 109.591 172.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -61.1 -38.59 86.82 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.356 1.063 . . . . 0.0 112.534 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.9 ptp -72.86 -27.49 61.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.79 0.723 . . . . 0.0 111.516 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -97.54 -30.28 12.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.171 1.388 . . . . 0.0 111.652 -169.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.79 145.26 48.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.322 1.049 . . . . 0.0 110.434 -169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.27 127.97 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.318 169.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.48 -38.18 53.36 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.287 2.658 . . . . 0.0 115.446 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -64.73 -17.69 64.36 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 53' ' ' LYS . 59.7 mt -81.82 -24.02 36.14 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.001 0.92 . . . . 0.0 111.804 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -62.88 -24.48 1.4 Allowed Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 -168.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.53 -33.78 59.47 Favored 'Trans proline' 0 C--N 1.35 0.644 0 CA-C-N 123.382 2.243 . . . . 0.0 113.416 169.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -37.55 87.89 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 10.8 m-85 -75.57 -28.37 58.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.07 -43.96 97.71 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.03 0.832 . . . . 0.0 109.76 172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.47 -46.28 76.89 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.036 0.535 . . . . 0.0 110.002 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 51.7 t80 -56.93 -46.61 81.93 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.296 1.038 . . . . 0.0 111.228 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.61 -56.43 19.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.639 0.654 . . . . 0.0 109.532 175.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -60.17 -42.67 95.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -71.96 -34.48 69.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.786 -175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.12 -42.82 88.64 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.941 1.701 . . . . 0.0 109.768 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.12 -36.55 77.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.358 0.526 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -87.4 2.62 49.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.076 1.351 . . . . 0.0 112.437 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.9 tttt 61.36 23.74 13.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.85 1.66 . . . . 0.0 112.776 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.36 68.42 9.68 Favored 'General case' 0 CA--C 1.521 -0.137 0 O-C-N 120.447 -1.408 . . . . 0.0 109.504 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -43.32 -38.2 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.845 1.258 . . . . 0.0 112.941 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.21 -51.95 15.89 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.807 -0.558 . . . . 0.0 110.473 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -68.79 -31.71 70.92 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.59 1.086 . . . . 0.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.57 -46.6 77.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.568 1.147 . . . . 0.0 110.154 169.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m -64.13 -40.77 96.89 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.916 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.472 1.487 . . . . 0.0 109.555 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -60.21 -47.26 86.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.349 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -66.14 -36.64 83.67 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.077 0.551 . . . . 0.0 111.029 177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -71.17 -42.23 69.36 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 0.0 111.09 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.08 -38.27 88.18 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 120.908 -1.12 . . . . 0.0 110.117 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.86 -46.69 83.84 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.005 0.522 . . . . 0.0 110.552 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -34.04 72.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.883 0.873 . . . . 0.0 112.489 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.58 -25.37 66.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.986 0.514 . . . . 0.0 111.646 -177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.32 142.69 37.55 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.09 -21.14 59.13 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.393 -0.813 . . . . 0.0 112.849 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 22' ' ' LEU . 30.1 mmtp -49.82 -38.26 34.0 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.508 1.049 . . . . 0.0 113.286 -172.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -112.8 18.98 17.78 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.8 m -42.97 -54.65 8.62 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 117.491 -1.242 . . . . 0.0 113.382 -171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.97 -27.94 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.99 2.46 . . . . 0.0 114.354 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.26 3.1 pp -65.58 -23.81 66.93 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 121.141 1.791 . . . . 0.0 112.279 -172.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -66.45 -12.16 55.82 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.04 -35.06 72.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.17 1.35 . . . . 0.0 111.094 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -62.67 -40.8 98.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.393 0.677 . . . . 0.0 111.634 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.59 -46.14 89.66 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.948 1.299 . . . . 0.0 108.794 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.21 -47.42 84.51 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.751 -0.593 . . . . 0.0 111.442 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.97 -46.93 68.46 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -134.59 2.6 3.22 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -111.74 -57.36 2.27 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.6 t -59.25 -37.9 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.342 0.973 . . . . 0.0 110.702 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -58.76 -23.1 59.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.314 1.046 . . . . 0.0 113.232 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -70.49 -13.56 62.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.298 0.953 . . . . 0.0 112.35 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -137.12 34.86 2.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.123 0.969 . . . . 0.0 111.377 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.34 152.11 11.79 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 168.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.91 -24.25 0.08 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.363 1.865 . . . . 0.0 114.608 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -70.22 -21.91 62.96 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.669 1.122 . . . . 0.0 110.983 173.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.5 167.56 25.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 109.466 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -58.32 126.61 28.27 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.264 1.025 . . . . 0.0 111.865 -171.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -55.87 -35.55 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.836 0.854 . . . . 0.0 112.048 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 79' ' ' VAL . 50.1 mt -75.28 -33.42 61.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.747 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.8 m -58.98 -49.79 76.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 120.022 1.283 . . . . 0.0 110.067 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.51 -46.24 90.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 119.088 -0.482 . . . . 0.0 110.534 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 76' ' ' LEU . 29.0 m -66.33 -33.79 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 117.266 -1.349 . . . . 0.0 110.706 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -58.88 -37.72 77.22 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 121.774 2.079 . . . . 0.0 111.363 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -61.62 -51.67 67.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.749 0.704 . . . . 0.0 109.564 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.16 -47.11 87.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.026 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -50.21 62.62 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 125.96 1.704 . . . . 0.0 109.874 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.27 67.66 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.533 0.606 . . . . 0.0 110.858 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -68.17 -50.28 55.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.66 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -73.18 -30.16 63.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.905 -169.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -71.34 -38.0 71.66 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.661 0.664 . . . . 0.0 110.367 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.4 -22.87 66.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.087 0.858 . . . . 0.0 112.316 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 m -63.96 -6.94 6.97 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 169.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 47.64 46.72 17.98 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 125.273 1.429 . . . . 0.0 109.576 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.23 69.75 1.47 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.978 1.37 . . . . 0.0 108.242 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -60.29 -25.95 66.13 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.636 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.78 -44.8 63.37 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.46 1.027 . . . . 0.0 110.875 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.11 -35.41 80.67 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -45.11 93.33 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.59 0.356 . . . . 0.0 110.258 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -50.06 75.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.213 0.605 . . . . 0.0 110.428 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -59.01 -52.19 66.82 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.874 0.47 . . . . 0.0 110.354 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.7 -41.52 99.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.47 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.6 mm? -89.28 -23.7 22.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 119.991 1.269 . . . . 0.0 110.704 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.72 -44.72 76.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.333 0.97 . . . . 0.0 109.265 169.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.19 -46.47 80.63 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.638 0.375 . . . . 0.0 111.052 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.2 -46.03 90.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.785 0.434 . . . . 0.0 110.037 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -54.78 -45.1 74.23 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.157 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.87 89.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.677 0.671 . . . . 0.0 111.377 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -61.34 -40.99 96.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.494 1.043 . . . . 0.0 110.599 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -70.37 -40.49 73.96 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 121.583 -0.698 . . . . 0.0 110.308 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.36 -32.0 69.71 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.887 0.875 . . . . 0.0 111.225 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -76.46 -45.23 32.14 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.272 -0.893 . . . . 0.0 110.047 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.5 -42.81 83.45 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.802 0.728 . . . . 0.0 109.423 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -58.49 -40.82 83.84 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.706 0.802 . . . . 0.0 111.113 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.4 m -69.23 -10.22 56.76 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.778 1.231 . . . . 0.0 114.007 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -101.48 -39.29 7.61 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.431 1.014 . . . . 0.0 110.116 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.86 -39.91 93.54 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.788 0.835 . . . . 0.0 110.675 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -159.49 -156.53 0.52 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.181 2.192 . . . . 0.0 107.077 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 36.86 61.09 0.91 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.712 2.005 . . . . 0.0 113.063 169.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -54.26 -30.0 48.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.361 0.665 . . . . 0.0 112.406 -176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -145.87 164.61 31.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.059 1.344 . . . . 0.0 108.271 169.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.83 20.77 57.36 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 123.944 0.783 . . . . 0.0 112.288 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.6 -15.15 25.08 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.614 1.566 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.19 -13.77 5.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.269 1.028 . . . . 0.0 112.383 170.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.52 -29.61 62.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.187 0.903 . . . . 0.0 112.713 169.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 32.89 73.72 0.06 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.076 2.55 . . . . 0.0 113.921 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.19 179.42 5.67 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.907 1.241 . . . . 0.0 114.845 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -46.86 130.89 12.05 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.64 1.576 . . . . 0.0 112.163 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.22 -86.74 0.44 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 106.475 -2.65 . . . . 0.0 106.475 -169.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.0 pt -58.64 -22.12 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 118.372 -0.823 . . . . 0.0 113.148 172.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.33 -49.32 70.01 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.552 1.069 . . . . 0.0 110.928 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 48.1 tp -69.89 -41.16 75.09 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.32 -36.89 75.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.24 -41.95 96.75 Favored 'General case' 0 CA--C 1.528 0.119 0 O-C-N 121.378 -0.826 . . . . 0.0 111.631 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.8 m -65.12 -37.13 86.47 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.615 0.366 . . . . 0.0 111.302 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.55 -41.78 88.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 109.761 177.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.2 mm -59.84 -41.08 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.515 171.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.69 96.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.142 1.337 . . . . 0.0 111.662 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -60.66 -35.93 77.44 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.189 0.904 . . . . 0.0 110.82 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.3 m -68.27 -41.51 80.94 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.958 -0.464 . . . . 0.0 110.116 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -61.29 -40.93 95.96 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.97 -1.081 . . . . 0.0 110.999 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 66.1 tp -61.15 -41.31 96.52 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.495 0.589 . . . . 0.0 109.954 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.82 -39.08 93.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.284 0.947 . . . . 0.0 111.432 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -68.91 -27.9 66.19 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.914 0.779 . . . . 0.0 112.548 175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -141.08 74.5 1.46 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.755 1.222 . . . . 0.0 108.695 -171.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -62.91 152.48 36.32 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.302 -170.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -137.39 -40.16 0.58 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.969 1.308 . . . . 0.0 109.408 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.33 -20.08 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -171.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -125.46 -24.43 3.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.943 1.247 . . . . 0.0 111.756 169.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.67 -33.02 65.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.6 1.091 . . . . 0.0 111.421 171.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -57.21 -30.45 64.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -73.27 -42.79 62.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 118.981 0.809 . . . . 0.0 110.077 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.57 -40.7 97.72 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.73 0.412 . . . . 0.0 110.289 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.76 -15.87 44.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.84 1.256 . . . . 0.0 112.831 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -61.25 -26.39 67.72 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.361 0.982 . . . . 0.0 111.716 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -96.37 105.65 17.76 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' A' ' 155' ' ' LYS . 1.5 pt? -151.52 167.79 26.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.836 1.254 . . . . 0.0 109.729 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -11.03 58.95 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -172.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . 0.465 ' H ' ' HG ' ' A' ' 153' ' ' LEU . 14.5 mmmm -78.74 43.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.17 1.388 . . . . 0.0 111.296 -177.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 25.3 p -65.84 176.3 1.65 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.155 0.982 . . . . 0.0 109.004 169.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.33 -34.39 57.28 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.485 -0.76 . . . . 0.0 111.736 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.63 -21.35 60.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.46 1.104 . . . . 0.0 113.297 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -129.4 24.06 5.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.179 1.392 . . . . 0.0 110.82 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.25 1.119 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 171.069 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -66.48 -33.34 75.48 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.779 -0.576 . . . . 0.0 112.109 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -50.16 127.32 16.64 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.706 1.202 . . . . 0.0 110.318 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 56.75 -52.18 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.216 2.606 . . . . 0.0 115.196 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.91 -58.93 4.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 121.046 1.748 . . . . 0.0 112.08 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.55 -36.26 68.21 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.46 -44.09 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 0.0 110.965 -178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.27 -40.46 77.79 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.76 0.709 . . . . 0.0 111.303 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -41.57 76.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.288 0.495 . . . . 0.0 109.666 -178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -61.1 -51.61 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 123.904 0.882 . . . . 0.0 108.662 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.99 -31.44 67.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.184 0.447 . . . . 0.0 111.901 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 m -73.27 -29.99 63.11 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.549 -0.72 . . . . 0.0 111.145 171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 m -66.17 -45.34 81.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.245 0.93 . . . . 0.0 109.793 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -55.21 -50.63 68.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.082 0.855 . . . . 0.0 109.232 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -58.93 -45.21 90.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.5 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.8 ptp -67.28 -33.36 75.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.724 1.147 . . . . 0.0 112.707 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.44 -30.26 47.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.376 0.67 . . . . 0.0 111.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 22' ' ' LEU . . . -72.28 158.62 35.5 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 125.399 1.48 . . . . 0.0 112.956 -169.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.31 139.09 92.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.894 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.08 -31.07 19.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.489 2.792 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -60.02 -23.08 63.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.7 0.8 . . . . 0.0 112.251 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' HB1' ' A' ' 18' ' ' ALA . 87.1 mt -86.65 -12.86 47.22 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.659 0.783 . . . . 0.0 112.085 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -55.04 -43.6 99.15 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 117.227 -1.368 . . . . 0.0 113.399 -172.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.39 -29.37 84.09 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.396 2.064 . . . . 0.0 114.127 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.53 -49.8 67.59 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -72.58 -18.15 61.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -169.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.67 -37.2 82.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.478 1.035 . . . . 0.0 109.883 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -66.98 -41.42 86.82 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.903 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 45' ' ' LEU . 2.7 m-85 -61.52 -48.79 79.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.822 0.737 . . . . 0.0 109.449 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -51.55 -55.95 16.21 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.988 0.915 . . . . 0.0 110.111 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.75 -60.02 4.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.459 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.521 -171.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.84 -52.18 58.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 121.837 2.108 . . . . 0.0 109.21 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.67 -29.44 65.77 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.738 -0.601 . . . . 0.0 111.467 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -77.65 -1.01 28.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.078 1.351 . . . . 0.0 112.211 172.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 63.68 24.05 13.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.224 1.809 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 37' ' ' LEU . 3.5 mm? -89.34 65.44 7.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.329 172.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -45.5 -38.09 5.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.973 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -67.27 -52.99 34.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.824 0.45 . . . . 0.0 110.42 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -69.72 -32.8 71.57 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.972 0.805 . . . . 0.0 110.638 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.71 -41.28 81.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.4 0.68 . . . . 0.0 110.207 169.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -67.59 -34.92 77.98 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.812 0.733 . . . . 0.0 111.669 175.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -62.45 -42.99 99.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.054 1.297 . . . . 0.0 108.943 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 m -59.8 -49.41 77.84 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.133 0.573 . . . . 0.0 110.685 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 29' ' ' PHE . 3.5 mm? -53.16 -40.12 64.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.263 0.625 . . . . 0.0 110.713 169.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 m -70.46 -37.62 74.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.974 0.807 . . . . 0.0 110.965 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.89 -43.68 98.16 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 120.532 -1.355 . . . . 0.0 109.638 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.48 -42.17 98.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.046 0.384 . . . . 0.0 110.212 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.84 -29.45 69.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.468 1.107 . . . . 0.0 112.602 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.61 -0.16 10.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.535 0.734 . . . . 0.0 112.362 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -134.8 170.73 15.41 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.88 1.672 . . . . 0.0 109.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 23.37 2.53 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.217 1.407 . . . . 0.0 111.951 -169.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -56.8 -38.81 73.08 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.376 -0.828 . . . . 0.0 111.954 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 m -150.62 43.21 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.372 1.069 . . . . 0.0 110.53 -169.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 18.2 m -43.11 -46.92 14.7 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -170.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 99.7 Cg_exo -51.38 -24.81 16.93 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.905 3.07 . . . . 0.0 116.193 176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.13 -31.05 68.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 120.01 1.277 . . . . 0.0 110.937 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtm-85 -63.91 -22.1 66.77 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 117.834 -1.079 . . . . 0.0 112.01 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -45.47 67.57 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 120.1 1.318 . . . . 0.0 109.595 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -61.94 -45.36 94.0 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -60.84 -47.33 86.84 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 124.023 0.827 . . . . 0.0 109.531 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -57.83 -53.25 60.36 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.465 -0.772 . . . . 0.0 111.235 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 -25.72 60.18 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -168.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -125.59 -6.32 6.94 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -169.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -135.98 -53.63 0.75 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.445 -168.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.82 -33.38 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 120.225 1.375 . . . . 0.0 109.673 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 p -55.93 -13.55 1.94 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -91.49 -11.24 38.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.375 0.989 . . . . 0.0 112.523 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -147.05 8.09 0.93 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.783 1.174 . . . . 0.0 113.542 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -51.22 -38.69 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.682 1.193 . . . . 0.0 112.861 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -68.6 -17.32 64.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 0.0 112.958 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -87.8 -9.88 52.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.543 1.137 . . . . 0.0 111.753 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.15 177.42 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 119.307 0.958 . . . . 0.0 111.856 -169.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -65.06 129.27 39.1 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.357 1.063 . . . . 0.0 111.714 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.43 -36.73 74.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.338 1.055 . . . . 0.0 111.858 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HA ' HG22 ' A' ' 79' ' ' VAL . 59.1 mt -73.47 -34.39 65.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.478 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -59.12 -50.53 73.7 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 119.52 1.055 . . . . 0.0 110.462 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.08 -40.97 90.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.425 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.8 m -69.85 -32.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 116.556 -1.687 . . . . 0.0 111.36 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -57.24 -41.07 78.86 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.668 2.485 . . . . 0.0 110.868 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -67.0 -44.95 79.06 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.812 0.339 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.99 -45.56 94.32 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.983 0.913 . . . . 0.0 111.035 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.4 -50.46 73.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 125.699 1.6 . . . . 0.0 109.107 -175.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.96 83.6 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.084 0.402 . . . . 0.0 111.338 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 p -71.32 -47.17 58.3 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -72.0 -27.93 63.06 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.722 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -75.15 -41.95 57.1 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.699 1.136 . . . . 0.0 110.56 171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.81 -8.44 54.29 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.392 0.996 . . . . 0.0 112.21 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.6 m -73.78 0.27 13.59 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.382 -0.824 . . . . 0.0 111.972 169.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 48.93 56.31 7.93 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 126.114 1.765 . . . . 0.0 111.087 -174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -126.18 157.73 37.42 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -141.46 14.04 2.17 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.548 1.139 . . . . 0.0 111.192 -169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.33 -40.25 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.45 1.023 . . . . 0.0 111.815 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.07 -30.1 71.33 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 m -47.07 -45.99 22.14 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.139 1.376 . . . . 0.0 111.936 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.75 -41.7 36.69 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.32 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.22 -46.03 91.16 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 118.529 0.604 . . . . 0.0 110.54 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -66.99 -40.21 87.34 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.272 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.55 -45.49 90.29 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.645 1.111 . . . . 0.0 109.532 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.68 -40.59 84.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 123.235 0.334 . . . . 0.0 110.569 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.5 -40.68 89.38 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.224 0.609 . . . . 0.0 111.596 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.4 tm? -62.24 -47.41 84.53 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -56.05 -40.8 74.05 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.717 -0.658 . . . . 0.0 109.848 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.53 84.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.927 0.785 . . . . 0.0 111.088 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -60.68 -42.32 96.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.621 1.101 . . . . 0.0 110.462 173.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -67.18 -36.16 81.2 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.066 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.05 -36.41 77.24 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.608 1.095 . . . . 0.0 111.307 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.05 -44.07 55.58 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.0 mt -58.41 -44.52 89.08 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 122.761 0.424 . . . . 0.0 109.969 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.53 -39.53 88.19 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.624 . . . . 0.0 111.207 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 m -65.61 -43.49 89.44 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.084 0.554 . . . . 0.0 111.498 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -65.38 -43.74 89.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.843 0.747 . . . . 0.0 110.503 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -68.21 -31.55 71.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.367 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.48 -93.71 0.11 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.985 1.266 . . . . 0.0 112.316 177.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 39.3 51.98 2.15 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.224 1.81 . . . . 0.0 114.04 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -79.14 61.51 3.29 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 108.709 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 t30 37.41 62.49 0.85 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.272 2.629 . . . . 0.0 114.175 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 154.97 -31.22 0.66 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.534 1.064 . . . . 0.0 111.079 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m -58.31 144.2 42.19 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 112.548 -178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -149.79 142.4 24.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -153.42 -40.55 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.134 0.879 . . . . 0.0 112.293 171.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -86.69 40.76 0.91 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.042 0.937 . . . . 0.0 109.095 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.09 -10.11 10.08 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.192 1.377 . . . . 0.0 113.204 -172.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.26 -36.36 75.36 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.165 0.982 . . . . 0.0 113.134 -169.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.67 -38.99 7.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.4 pt -65.29 -20.18 27.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 119.19 1.495 . . . . 0.0 113.053 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.84 -42.61 93.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 121.051 1.751 . . . . 0.0 110.398 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.04 -44.74 83.75 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.61 -40.62 89.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 118.972 0.805 . . . . 0.0 109.535 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -61.23 -41.95 97.75 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.284 1.034 . . . . 0.0 111.105 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.3 m -65.57 -35.29 80.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.641 0.376 . . . . 0.0 111.06 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -68.56 -45.32 72.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.152 0.981 . . . . 0.0 109.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.5 mt -57.77 -53.54 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.1 91.63 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.787 0.435 . . . . 0.0 111.304 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -45.13 89.66 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.872 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 17.5 m -64.98 -43.42 92.67 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.659 0.663 . . . . 0.0 110.243 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.08 -42.13 99.58 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.375 -0.828 . . . . 0.0 110.756 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 54.4 tp -66.67 -38.47 86.87 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.606 0.762 . . . . 0.0 110.813 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.44 -37.66 84.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.474 0.579 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -77.84 -14.99 59.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.564 -0.732 . . . . 0.0 112.853 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -65.55 159.86 23.66 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.531 1.06 . . . . 0.0 110.619 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.45 -25.02 64.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.533 1.133 . . . . 0.0 112.797 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.39 123.7 18.08 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.406 1.482 . . . . 0.0 107.164 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.37 7.02 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 112.824 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 47.4 tttp 42.61 57.69 3.4 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.826 2.051 . . . . 0.0 112.271 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -70.38 65.02 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.706 1.602 . . . . 0.0 110.823 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -64.84 -5.3 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.737 1.615 . . . . 0.0 114.512 -172.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.92 -23.27 67.17 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.094 0.558 . . . . 0.0 110.472 169.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.02 175.88 5.25 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.462 1.905 . . . . 0.0 108.214 171.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.41 134.73 50.52 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.94 -26.51 62.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.826 1.25 . . . . 0.0 113.073 -171.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -136.34 49.6 2.09 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 109.137 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 57.2 tp -51.6 119.78 4.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.585 1.154 . . . . 0.0 110.417 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.09 158.6 33.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.566 0.746 . . . . 0.0 110.392 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -150.07 158.09 43.8 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.268 1.427 . . . . 0.0 107.461 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.5 p -58.57 -41.14 85.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.562 1.145 . . . . 0.0 111.249 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 66.1 tp -153.54 140.31 19.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.711 1.604 . . . . 0.0 107.002 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.45 164.83 36.77 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.848 1.259 . . . . 0.0 107.779 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.77 8.73 3.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.637 1.175 . . . . 0.0 113.091 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.042 1.737 . . . . 0.0 107.618 -179.306 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -124.02 138.88 54.39 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.685 0.675 . . . . 0.0 111.465 -169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -159.59 148.35 17.78 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.064 1.746 . . . . 0.0 107.382 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -154.79 154.86 33.45 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 170.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -59.43 -29.59 67.87 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.262 0.625 . . . . 0.0 112.525 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.45 -35.2 78.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.751 0.705 . . . . 0.0 110.759 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.77 -45.06 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.88 -40.41 92.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.087 0.403 . . . . 0.0 111.986 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -39.25 72.59 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.19 -48.6 86.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.532 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.95 -42.33 98.04 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 119.515 1.052 . . . . 0.0 110.746 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.3 m -64.81 -40.33 95.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 119.102 -0.475 . . . . 0.0 111.247 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -68.79 -44.89 72.69 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.049 0.841 . . . . 0.0 110.525 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.82 -49.52 77.42 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.546 -0.721 . . . . 0.0 109.279 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -67.43 -38.01 83.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.52 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.5 ptp -65.66 -34.34 77.98 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.218 1.372 . . . . 0.0 112.111 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.51 -32.35 22.26 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.646 0.778 . . . . 0.0 111.992 -173.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.21 162.25 29.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.715 1.206 . . . . 0.0 113.238 -169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.05 135.27 82.69 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.581 169.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -50.5 -28.34 21.32 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.77 2.98 . . . . 0.0 115.971 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.22 -23.68 66.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.256 0.934 . . . . 0.0 112.151 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.92 -17.98 41.75 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.891 0.876 . . . . 0.0 111.985 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -63.36 -40.94 64.35 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 116.586 -1.673 . . . . 0.0 113.366 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.94 -45.91 22.03 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.201 1.934 . . . . 0.0 112.283 172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.33 -43.09 88.06 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.44 1.096 . . . . 0.0 110.209 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -20.98 64.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 117.755 -1.117 . . . . 0.0 112.586 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.1 -38.33 87.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.782 1.628 . . . . 0.0 110.58 175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -70.17 -44.79 68.05 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -55.49 -46.2 76.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.596 0.359 . . . . 0.0 110.052 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -58.56 -55.22 37.92 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.249 0.619 . . . . 0.0 110.458 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -30.94 71.31 Favored 'General case' 0 C--N 1.339 0.137 0 O-C-N 121.705 -0.622 . . . . 0.0 111.09 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.61 -32.61 62.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.182 -1.39 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -69.18 -37.68 78.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.54 1.973 . . . . 0.0 108.944 169.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.16 -34.1 77.29 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.085 0.402 . . . . 0.0 110.696 -175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.5 -0.62 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.756 1.222 . . . . 0.0 112.44 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 54.67 57.7 5.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.605 1.562 . . . . 0.0 111.007 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 37' ' ' LEU . 79.7 mt -123.15 71.23 1.05 Allowed 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.433 1.493 . . . . 0.0 108.145 -176.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.74 -38.46 67.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 112.957 -1.929 . . . . 0.0 113.279 -169.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -72.15 -43.94 63.85 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.635 -0.665 . . . . 0.0 110.668 -175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.21 -33.6 65.47 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.698 -0.626 . . . . 0.0 110.152 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.031 0.932 . . . . 0.0 109.342 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 m -68.52 -35.57 77.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.732 0.413 . . . . 0.0 111.55 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -40.63 97.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.8 -1.188 . . . . 0.0 109.722 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 m -65.84 -47.88 73.51 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.145 0.578 . . . . 0.0 109.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.44 -33.3 65.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.889 0.875 . . . . 0.0 111.675 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.7 m -71.79 -41.35 68.4 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.473 -0.767 . . . . 0.0 110.609 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.3 -38.67 87.65 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.932 1.242 . . . . 0.0 110.978 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.38 -43.73 96.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.089 0.555 . . . . 0.0 110.334 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -65.69 -28.94 69.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.832 0.853 . . . . 0.0 112.784 -179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.28 -7.27 12.46 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.68 157.09 47.56 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.118 -0.989 . . . . 0.0 109.317 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.13 8.4 2.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.967 1.307 . . . . 0.0 113.723 -172.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -59.97 -23.06 63.3 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.612 1.165 . . . . 0.0 113.614 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 p -145.27 22.56 1.52 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -169.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.4 m -41.58 -53.05 7.77 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.408 1.483 . . . . 0.0 114.034 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.52 -16.16 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.525 2.15 . . . . 0.0 114.447 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.53 -27.02 68.98 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.032 1.287 . . . . 0.0 110.639 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 11.8 mtt180 -65.19 -19.35 65.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.581 0.752 . . . . 0.0 111.845 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.68 -47.59 83.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.303 0.956 . . . . 0.0 110.893 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -64.03 -43.98 93.94 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.556 0.616 . . . . 0.0 109.929 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.21 -48.59 81.1 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.378 0.671 . . . . 0.0 109.954 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.87 -46.58 88.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.522 0.601 . . . . 0.0 110.772 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.2 -50.06 74.02 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -144.01 25.89 1.56 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -169.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -131.09 -65.81 0.76 Allowed 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.908 -1.12 . . . . 0.0 108.602 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.27 -35.4 65.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.337 0.655 . . . . 0.0 109.834 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 p -55.55 -27.17 47.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.299 1.04 . . . . 0.0 113.233 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.3 -16.48 61.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.285 0.948 . . . . 0.0 112.278 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -142.25 15.87 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.354 0.979 . . . . 0.0 112.694 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -53.63 -37.58 63.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.008 0.923 . . . . 0.0 112.077 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.84 -29.25 62.66 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.058 1.743 . . . . 0.0 112.605 176.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -93.12 -5.35 50.44 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.173 -0.955 . . . . 0.0 112.233 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.9 pt -129.31 178.41 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 119.753 1.161 . . . . 0.0 111.123 -169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -75.23 131.02 40.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 122.479 0.311 . . . . 0.0 111.226 -171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -51.88 -59.69 4.04 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.458 1.103 . . . . 0.0 110.055 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.43 -28.12 68.03 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.973 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -63.6 -46.88 83.77 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.363 1.438 . . . . 0.0 110.435 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -46.48 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 118.699 0.681 . . . . 0.0 110.11 -176.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -37.87 80.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 116.033 -1.936 . . . . 0.0 109.726 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -53.79 -40.79 66.61 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 123.021 2.646 . . . . 0.0 111.557 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.78 -54.78 33.79 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.529 0.68 . . . . 0.0 109.604 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.5 tp -62.33 -40.07 95.14 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.271 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.1 -44.5 79.12 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 126.385 1.874 . . . . 0.0 109.655 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.58 75.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.798 1.181 . . . . 0.0 110.137 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -61.59 -45.17 95.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.399 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.42 -29.31 62.5 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -171.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -67.94 -45.66 73.64 Favored 'General case' 0 C--N 1.338 0.083 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.62 -33.85 76.58 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -175.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.9 p -67.54 -18.1 64.9 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 56.41 18.84 3.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.461 1.504 . . . . 0.0 111.933 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.72 145.66 32.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 119.017 0.826 . . . . 0.0 110.004 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -133.44 26.67 4.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.487 1.115 . . . . 0.0 111.456 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.64 -51.79 0.47 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 120.879 -1.138 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.61 -36.39 84.09 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -51.45 -37.21 47.62 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.479 0.712 . . . . 0.0 112.595 172.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.46 -47.81 25.53 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.32 -48.92 78.99 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.802 0.441 . . . . 0.0 110.556 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -57.54 -57.58 12.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.66 1.184 . . . . 0.0 110.234 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.0 mt -74.55 -32.43 62.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.498 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -62.5 -46.3 89.07 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.705 1.138 . . . . 0.0 110.239 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.11 -44.1 73.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.027 0.531 . . . . 0.0 111.256 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.91 -47.27 87.18 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.613 0.765 . . . . 0.0 109.517 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -57.74 -44.92 86.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.45 90.74 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.706 0.685 . . . . 0.0 111.307 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -61.4 -26.4 67.83 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.049 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.17 -21.78 20.99 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.684 1.129 . . . . 0.0 112.975 169.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.8 -37.86 87.41 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 120.086 1.312 . . . . 0.0 109.46 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.72 -10.11 24.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.764 0.826 . . . . 0.0 112.763 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.3 mt -123.5 10.29 9.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.385 1.874 . . . . 0.0 109.516 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -57.49 -48.49 79.1 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.494 -1.378 . . . . 0.0 113.054 -169.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 p -72.37 -11.38 60.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.994 1.318 . . . . 0.0 113.111 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -87.1 -47.43 8.91 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.264 -0.897 . . . . 0.0 109.872 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -75.58 -50.77 14.55 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.156 -169.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.1 -22.96 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -169.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.8 ttp-105 -94.25 15.05 18.35 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.687 1.585 . . . . 0.0 112.585 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -48.44 -34.77 11.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.192 0.997 . . . . 0.0 113.642 -169.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -144.86 52.63 1.22 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.079 0.952 . . . . 0.0 108.66 168.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.03 16.29 5.28 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.58 1.086 . . . . 0.0 112.603 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -59.23 -6.54 0.96 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.699 1.6 . . . . 0.0 114.418 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -60.54 -17.66 47.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.905 0.882 . . . . 0.0 111.592 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -136.69 169.48 17.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.359 1.464 . . . . 0.0 108.188 170.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -64.45 -31.06 72.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.991 1.716 . . . . 0.0 113.417 -169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.5 -172.55 36.14 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -147.41 149.76 33.34 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.354 1.061 . . . . 0.0 109.417 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.81 -54.69 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.156 1.36 . . . . 0.0 111.95 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 12.0 pt -64.14 -19.2 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.233 1.517 . . . . 0.0 112.479 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.54 -34.24 77.79 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.134 1.334 . . . . 0.0 111.346 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.56 -44.91 69.92 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.08 -41.03 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.65 -37.34 81.19 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.405 0.682 . . . . 0.0 111.083 175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 -32.99 70.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.284 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.88 -52.29 60.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.729 1.15 . . . . 0.0 109.628 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.37 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 119.149 -0.453 . . . . 0.0 109.896 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.87 76.03 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.64 0.654 . . . . 0.0 111.656 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -63.25 -39.31 94.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.707 1.139 . . . . 0.0 110.664 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.8 m -58.28 -38.99 78.07 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.614 0.643 . . . . 0.0 110.216 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.34 -46.4 60.66 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.71 -0.619 . . . . 0.0 110.941 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.37 -31.2 72.3 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.172 0.989 . . . . 0.0 111.371 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.88 -26.69 48.34 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.447 1.099 . . . . 0.0 112.16 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -72.52 -28.24 62.74 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.691 -0.631 . . . . 0.0 111.827 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.91 162.85 24.75 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.944 0.897 . . . . 0.0 109.442 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.32 159.77 25.99 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 169.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.83 144.02 31.58 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.556 1.142 . . . . 0.0 108.173 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.21 120.65 8.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -63.01 -16.95 61.56 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.69 61.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.83 0.852 . . . . 0.0 111.203 169.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.51 -36.64 76.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.781 0.719 . . . . 0.0 110.769 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.41 -38.46 90.01 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.125 0.42 . . . . 0.0 110.795 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.69 -50.74 63.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.959 0.904 . . . . 0.0 110.182 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 55.4 tp -153.52 110.86 3.48 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 108.587 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.39 135.8 52.34 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -154.17 165.24 36.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.501 1.12 . . . . 0.0 109.252 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.85 -2.89 22.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.18 156.43 31.78 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.038 0.836 . . . . 0.0 109.639 173.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -77.63 161.42 27.82 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 121.694 -0.629 . . . . 0.0 110.066 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 p -140.24 169.1 18.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.685 1.594 . . . . 0.0 108.01 172.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 76.3 mt 55.79 31.34 17.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.256 1.422 . . . . 0.0 111.944 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.53 145.17 55.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.488 0.715 . . . . 0.0 109.955 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -141.04 6.15 1.96 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.146 1.379 . . . . 0.0 112.058 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.251 1.142 0 CA-C-N 119.936 1.244 . . . . 0.0 110.423 -179.502 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ptm . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -143.47 171.55 14.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.178 1.391 . . . . 0.0 108.657 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -74.41 45.22 0.22 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.674 1.99 . . . . 0.0 109.964 169.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -50.8 -36.36 36.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.206 1.403 . . . . 0.0 114.516 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.58 -39.34 91.52 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.262 0.937 . . . . 0.0 110.917 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -69.59 -40.65 76.57 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.24 -38.94 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 118.984 -0.531 . . . . 0.0 109.605 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.13 -43.42 98.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.018 0.826 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -41.98 67.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.254 0.479 . . . . 0.0 109.762 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mt -59.81 -54.85 28.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 tp -69.81 -34.19 73.36 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.351 0.523 . . . . 0.0 111.459 -169.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 m -65.19 -39.04 92.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.054 171.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -68.12 -45.38 73.82 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.291 0.95 . . . . 0.0 110.575 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.8 mt -55.83 -50.16 71.3 Favored 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -65.15 -44.44 88.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.755 -0.641 . . . . 0.0 111.289 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.1 ptp -63.73 -32.53 74.06 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.069 0.849 . . . . 0.0 112.198 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.46 -30.08 23.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.815 . . . . 0.0 111.638 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.27 155.71 39.22 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.163 1.385 . . . . 0.0 112.324 -171.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.38 135.04 88.77 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.076 168.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.47 -29.53 24.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.559 2.839 . . . . 0.0 115.383 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -61.45 -20.46 63.15 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.616 0.767 . . . . 0.0 112.327 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 mt -83.72 -15.94 46.78 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.384 1.074 . . . . 0.0 111.457 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -60.78 -45.84 96.91 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-O 116.5 -1.714 . . . . 0.0 113.026 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -54.92 -41.94 73.81 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.46 2.107 . . . . 0.0 113.195 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 tp -64.97 -40.66 95.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.576 -0.702 . . . . 0.0 110.781 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.12 -24.13 64.98 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 117.787 -1.101 . . . . 0.0 113.232 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -59.52 -45.66 91.11 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.523 1.51 . . . . 0.0 109.664 170.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -70.88 -42.37 70.14 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.293 0.637 . . . . 0.0 109.718 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -56.83 -47.13 81.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.682 0.793 . . . . 0.0 110.387 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -58.89 -54.94 41.46 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.517 0.599 . . . . 0.0 109.899 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -56.41 -41.24 76.02 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.835 0.454 . . . . 0.0 110.108 -176.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 22.6 m-85 -75.29 -29.69 60.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.59 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -44.03 92.53 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.793 1.633 . . . . 0.0 108.753 169.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.56 -35.58 81.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.851 0.46 . . . . 0.0 110.986 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -77.7 1.26 20.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.736 0.814 . . . . 0.0 112.93 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 57.38 40.82 27.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.703 1.201 . . . . 0.0 110.707 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.8 mt -107.66 66.22 0.66 Allowed 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 109.347 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -47.42 -39.76 16.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.861 -1.972 . . . . 0.0 112.59 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -73.15 -38.85 66.09 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.161 0.437 . . . . 0.0 111.777 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.35 -37.63 60.55 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.698 -1.251 . . . . 0.0 109.84 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 tp -54.33 -48.41 71.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.236 1.414 . . . . 0.0 111.044 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -69.55 -36.25 76.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.368 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.37 -35.38 77.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.813 1.642 . . . . 0.0 110.922 174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.4 m -61.83 -45.86 92.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.731 0.696 . . . . 0.0 109.727 175.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.33 -35.94 82.05 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.072 0.549 . . . . 0.0 111.604 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -66.28 -38.31 87.47 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.408 -0.808 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -62.67 -33.81 75.82 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.411 -0.806 . . . . 0.0 110.22 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.34 -48.38 61.54 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.721 0.691 . . . . 0.0 109.685 172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.38 -34.05 60.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.099 0.959 . . . . 0.0 112.763 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.17 -9.43 23.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -121.31 131.79 54.41 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.479 1.511 . . . . 0.0 108.937 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.29 1.05 17.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.231 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.59 -48.67 2.11 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.758 2.023 . . . . 0.0 114.533 -173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.2 m -151.23 43.96 0.79 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.496 1.118 . . . . 0.0 109.492 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.424 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 60.3 m -43.13 -51.89 12.89 Favored Pre-proline 0 CA--C 1.544 0.74 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -169.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 89.3 Cg_exo -50.35 -22.69 8.99 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.881 3.054 . . . . 0.0 116.551 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.048 1.294 . . . . 0.0 111.058 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -21.2 63.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.743 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.29 -48.93 60.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 120.08 1.309 . . . . 0.0 109.364 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -61.8 -40.05 93.86 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 117.989 0.359 . . . . 0.0 110.13 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.7 93.75 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.643 0.777 . . . . 0.0 110.196 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.33 -42.74 92.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.335 0.654 . . . . 0.0 111.521 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -53.12 -40.56 64.28 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -168.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -147.49 -32.77 0.28 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.17 -57.68 7.08 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.212 0.914 . . . . 0.0 108.936 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -66.92 -27.05 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 121.987 -0.446 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -56.42 -29.77 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.26 0.936 . . . . 0.0 112.968 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -67.66 -16.59 64.23 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.154 0.888 . . . . 0.0 112.456 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -135.36 35.7 2.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.763 1.625 . . . . 0.0 109.002 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -42.91 3.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 128.001 2.52 . . . . 0.0 114.397 -169.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -126.05 8.92 7.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.459 1.103 . . . . 0.0 110.984 -171.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -72.5 -16.12 61.79 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.347 -0.845 . . . . 0.0 110.677 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.98 171.85 17.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.795 1.638 . . . . 0.0 109.176 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -54.0 122.7 10.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.981 0.912 . . . . 0.0 111.596 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.2 mt-30 -57.79 -41.82 82.91 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.6 0.76 . . . . 0.0 110.315 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.11 -26.34 66.65 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.467 -1.254 . . . . 0.0 111.257 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -65.29 -50.5 65.48 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 120.846 1.657 . . . . 0.0 110.002 173.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -62.68 -39.67 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.827 0.739 . . . . 0.0 110.287 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' GLN . 38.5 t -65.64 -42.92 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.257 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' LEU . 81.7 mttt -58.6 -37.58 76.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 120.523 1.51 . . . . 0.0 112.191 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.32 -47.89 80.33 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.26 -46.18 88.03 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.83 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' LYS . 18.1 mt -51.91 -57.37 9.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.685 1.194 . . . . 0.0 109.84 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.91 93.87 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.36 0.527 . . . . 0.0 111.033 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m -62.95 -50.07 72.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 111.038 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -78.09 -29.47 49.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.874 0.469 . . . . 0.0 110.806 -170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -66.6 -49.61 65.74 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.75 -27.85 69.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.619 0.645 . . . . 0.0 111.942 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.9 m -64.33 2.3 0.62 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.99 16.74 3.92 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.403 2.281 . . . . 0.0 113.454 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.62 164.49 26.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.245 0.929 . . . . 0.0 109.332 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -147.28 -0.22 0.68 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 112.065 -173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -137.02 -44.55 0.57 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.153 0.888 . . . . 0.0 110.1 -176.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.2 -32.19 73.75 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -49.63 -42.23 44.5 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.736 0.815 . . . . 0.0 111.511 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -79.16 -42.73 25.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.951 -0.468 . . . . 0.0 110.37 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.33 -52.0 67.13 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.696 0.399 . . . . 0.0 110.378 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -63.09 -43.71 97.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.037 0.935 . . . . 0.0 111.419 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' HB2' HD11 ' A' ' 133' ' ' ILE . 3.9 mm? -87.54 -30.09 20.82 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.506 -169.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.63 -37.6 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.762 0.71 . . . . 0.0 109.776 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.16 -45.16 89.67 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 121.432 -0.792 . . . . 0.0 110.87 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.35 -44.68 90.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.589 -0.695 . . . . 0.0 111.056 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -35.83 79.06 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.092 0.86 . . . . 0.0 109.334 176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.55 74.46 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.434 0.694 . . . . 0.0 111.757 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -59.02 -44.41 91.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 119.758 1.163 . . . . 0.0 109.609 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.1 -36.42 79.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.748 174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -56.98 -29.24 63.07 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.623 0.647 . . . . 0.0 112.182 172.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -84.55 -46.91 11.11 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.781 0.719 . . . . 0.0 109.74 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.22 -34.01 69.94 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.442 0.697 . . . . 0.0 111.304 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -50.24 -56.58 10.54 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.787 1.235 . . . . 0.0 110.549 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.5 m -72.53 -40.08 67.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.348 0.659 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -62.74 -40.5 97.42 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.251 0.62 . . . . 0.0 111.988 -171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -137.53 -26.8 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -172.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -22.67 62.34 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 120.543 1.519 . . . . 0.0 112.774 -169.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -58.2 -11.23 2.46 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -50.1 -34.99 23.77 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.633 1.106 . . . . 0.0 111.692 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -154.12 -24.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 169.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.96 66.57 3.38 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 m -65.53 12.49 0.05 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.811 2.044 . . . . 0.0 114.824 -173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -140.83 145.43 36.24 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.124 1.77 . . . . 0.0 106.494 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -51.08 132.93 28.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.822 1.249 . . . . 0.0 110.244 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -56.23 -23.31 35.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.522 1.129 . . . . 0.0 112.782 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.4 -104.13 0.39 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.621 1.581 . . . . 0.0 112.114 169.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -46.72 -36.99 7.78 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.184 1.794 . . . . 0.0 113.36 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.68 -31.75 45.88 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 118.873 -0.959 . . . . 0.0 113.5 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.1 pt -118.88 -21.94 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 118.546 1.173 . . . . 0.0 112.938 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.4 -32.59 74.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.398 0.999 . . . . 0.0 110.651 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.03 -47.87 82.81 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.81 0.732 . . . . 0.0 109.936 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.23 -44.68 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.63 -38.07 86.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.579 0.752 . . . . 0.0 111.399 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.1 m -73.81 -36.87 65.01 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.058 0.943 . . . . 0.0 112.134 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -62.16 -42.02 98.86 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.6 mm -66.27 -41.63 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.768 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.62 -46.32 84.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.955 1.252 . . . . 0.0 110.649 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -61.81 -39.78 92.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.413 0.551 . . . . 0.0 110.865 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.5 m -62.92 -40.82 98.79 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.554 0.615 . . . . 0.0 110.72 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -63.71 -42.88 97.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.57 1.077 . . . . 0.0 110.845 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.9 -33.23 75.53 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.536 0.734 . . . . 0.0 111.355 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.4 tp 47.36 41.68 12.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.473 1.509 . . . . 0.0 112.595 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 59.7 mttp 50.78 30.51 5.11 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.77 1.628 . . . . 0.0 113.539 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -65.68 -27.78 68.6 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.429 -0.794 . . . . 0.0 111.844 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -61.54 175.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.774 1.23 . . . . 0.0 111.694 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 14.5 tp 81.93 13.29 0.59 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 128.615 2.766 . . . . 0.0 111.794 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.73 -31.04 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.264 -0.898 . . . . 0.0 111.452 169.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.97 -20.63 17.13 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 113.28 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -129.54 20.63 5.62 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.155 1.382 . . . . 0.0 111.035 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.9 ttp-105 -135.66 -13.58 1.96 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.12 0.968 . . . . 0.0 111.906 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.09 164.66 30.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.416 1.486 . . . . 0.0 108.063 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.94 96.28 1.27 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.92 125.36 22.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.976 0.91 . . . . 0.0 110.323 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.8 t0 47.96 45.23 19.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.954 1.702 . . . . 0.0 112.967 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.39 142.86 20.52 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.623 0.769 . . . . 0.0 111.066 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 64.2 tp -152.18 -51.56 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.236 1.015 . . . . 0.0 109.815 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.46 163.61 36.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.663 1.585 . . . . 0.0 106.834 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -57.02 -23.01 43.18 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.8 p -63.3 -15.57 57.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.829 1.252 . . . . 0.0 112.539 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 16.2 tp -124.04 17.75 9.25 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.324 1.85 . . . . 0.0 109.929 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.13 155.69 19.99 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.429 -0.794 . . . . 0.0 110.106 169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.12 -13.69 29.38 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.25 1.085 0 C-N-CA 124.365 1.066 . . . . 0.0 111.833 176.471 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -138.61 174.5 10.47 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.024 1.73 . . . . 0.0 107.577 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -52.0 112.77 0.84 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 112.128 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.18 -34.28 73.38 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.599 0.76 . . . . 0.0 112.483 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -67.09 -40.0 86.87 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.138 0.881 . . . . 0.0 111.84 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.67 -45.61 78.36 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -65.37 -40.65 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.312 0.645 . . . . 0.0 110.553 -172.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.84 -37.25 86.98 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.297 0.639 . . . . 0.0 110.972 174.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -46.3 90.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.218 0.607 . . . . 0.0 109.966 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -64.5 -50.87 74.08 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.56 -40.1 93.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.536 0.607 . . . . 0.0 111.193 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -68.95 -38.77 79.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 111.481 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -69.8 -42.78 73.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.047 0.84 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 61' ' ' LEU . 5.6 mp -55.48 -56.97 14.09 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -60.07 -39.93 87.73 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.186 0.903 . . . . 0.0 111.85 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.0 ptp -66.96 -24.84 66.1 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.111 0.869 . . . . 0.0 113.335 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.38 -15.56 10.94 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -169.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.93 149.9 49.97 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.797 1.639 . . . . 0.0 111.122 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.58 136.29 90.57 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 168.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.41 -29.1 22.96 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.434 2.756 . . . . 0.0 115.699 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -60.7 -21.99 63.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.648 0.779 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.08 -17.83 51.62 Favored 'General case' 0 C--O 1.231 0.084 0 C-N-CA 124.45 1.1 . . . . 0.0 112.485 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -55.83 -46.62 99.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 116.661 -1.638 . . . . 0.0 113.197 -169.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.78 -34.94 92.61 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.216 1.944 . . . . 0.0 113.694 176.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.05 -43.47 87.4 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 29.6 m-85 -73.93 -22.87 59.51 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -61.52 -48.15 82.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.905 1.23 . . . . 0.0 109.67 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.32 -45.15 92.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.819 0.448 . . . . 0.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 57.9 t80 -57.03 -51.21 70.18 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.108 0.963 . . . . 0.0 111.091 -178.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.15 -52.88 63.44 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.685 0.794 . . . . 0.0 109.74 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -56.54 -55.82 29.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.308 0.643 . . . . 0.0 110.35 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.29 -25.01 65.83 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 117.599 -1.191 . . . . 0.0 112.695 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.45 -47.73 72.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.894 1.679 . . . . 0.0 109.287 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.07 -35.02 79.36 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.568 0.622 . . . . 0.0 111.198 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -84.44 5.26 28.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.27 1.028 . . . . 0.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 60.96 23.39 13.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.411 1.484 . . . . 0.0 112.968 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 37' ' ' LEU . 3.6 mm? -88.47 67.52 8.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 O-C-N 120.99 -1.069 . . . . 0.0 108.492 174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -45.16 -39.19 5.87 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.663 1.185 . . . . 0.0 113.132 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -70.8 -40.57 72.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.993 -0.442 . . . . 0.0 111.593 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.16 -30.62 49.26 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.183 -0.948 . . . . 0.0 110.367 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.29 -46.24 79.86 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 168.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m -65.95 -39.38 90.4 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.417 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -62.03 -39.25 91.67 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.638 1.563 . . . . 0.0 109.914 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 m -63.13 -44.67 94.92 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.082 0.553 . . . . 0.0 110.238 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 81' ' ' TYR . 25.5 tp -65.71 -32.14 73.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.501 0.72 . . . . 0.0 111.218 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -79.01 -33.16 45.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.862 0.865 . . . . 0.0 111.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -57.89 -42.53 84.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.888 -1.133 . . . . 0.0 108.535 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.85 -40.22 87.83 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.885 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.98 -40.81 73.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.474 1.034 . . . . 0.0 112.116 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -74.4 -41.38 61.04 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.431 0.56 . . . . 0.0 111.437 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.97 -37.91 79.08 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.885 1.274 . . . . 0.0 113.059 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.11 25.53 7.22 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 172.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -39.2 65.18 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.872 1.669 . . . . 0.0 112.999 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 m -145.61 42.89 1.27 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.379 1.071 . . . . 0.0 110.878 -169.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -31.63 -50.11 0.47 Allowed Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -46.83 -25.56 3.9 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.096 3.197 . . . . 0.0 117.636 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.33 -34.55 66.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.799 1.636 . . . . 0.0 110.558 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -65.07 -16.59 63.63 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.17 -0.919 . . . . 0.0 112.346 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -46.9 69.05 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.91 1.232 . . . . 0.0 109.566 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.66 -44.74 96.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.26 1.024 . . . . 0.0 110.397 -174.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.72 -49.98 75.33 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.985 0.514 . . . . 0.0 110.467 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.54 -40.17 92.57 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.58 6.75 4.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -167.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.01 -67.82 0.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 108.759 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.52 -27.72 43.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.513 0.725 . . . . 0.0 110.856 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 p -54.31 -28.94 45.78 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -73.51 -16.22 61.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.092 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -145.45 23.63 1.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.739 1.154 . . . . 0.0 113.113 -171.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -36.49 -58.61 0.7 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.61 1.564 . . . . 0.0 113.837 -173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -5.63 54.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -73.88 -14.69 61.11 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.383 0.992 . . . . 0.0 111.16 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.8 pt -132.15 171.18 18.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 119.392 0.996 . . . . 0.0 110.22 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -60.99 127.15 30.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.917 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 79' ' ' VAL . 59.1 mt-30 -59.75 -45.54 91.91 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.529 0.732 . . . . 0.0 110.97 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -68.19 -21.64 64.86 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.963 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -67.38 -51.52 51.1 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 121.123 1.783 . . . . 0.0 110.401 171.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.5 m -61.29 -40.33 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 119.218 0.917 . . . . 0.0 110.219 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 75' ' ' GLN . 39.3 t -68.24 -40.78 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.039 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -60.75 -40.07 91.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.727 1.603 . . . . 0.0 111.987 176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.433 ' CE2' HD23 ' A' ' 45' ' ' LEU . 14.4 m-85 -61.23 -45.88 92.72 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 118.922 0.783 . . . . 0.0 109.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.41 -46.68 82.22 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-O 118.841 -0.6 . . . . 0.0 110.698 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.72 -57.03 10.4 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.342 1.057 . . . . 0.0 109.26 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.63 94.1 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.215 0.916 . . . . 0.0 111.436 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 m -61.51 -50.57 72.19 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.233 0.54 . . . . 0.0 110.431 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 tp -82.05 -25.4 34.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.228 0.611 . . . . 0.0 111.897 -170.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -71.22 -34.07 70.48 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 123.423 0.689 . . . . 0.0 110.031 171.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.88 -32.35 71.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.013 0.824 . . . . 0.0 111.658 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 147.61 35.88 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.533 0.606 . . . . 0.0 111.172 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -87.56 55.83 3.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.402 1.081 . . . . 0.0 109.341 -171.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -148.99 171.71 15.91 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.776 1.23 . . . . 0.0 108.884 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.8 -24.57 0.5 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.735 1.614 . . . . 0.0 111.285 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.73 -38.07 62.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 119.205 0.911 . . . . 0.0 109.63 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.8 -43.04 99.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -59.03 -46.5 88.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.357 0.663 . . . . 0.0 110.914 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -52.03 66.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.244 1.018 . . . . 0.0 110.33 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -62.35 -53.77 50.11 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.68 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.93 -40.58 96.79 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.148 -173.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.1 mm? -87.37 -26.12 23.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 119.813 1.188 . . . . 0.0 109.931 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.27 -37.98 71.87 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 118.89 0.768 . . . . 0.0 109.817 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.9 -44.59 95.67 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.414 -0.804 . . . . 0.0 110.687 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.66 -43.69 88.58 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 110.945 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -35.41 77.71 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.265 0.938 . . . . 0.0 109.337 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.72 75.1 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.431 0.692 . . . . 0.0 111.814 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -59.01 -44.43 91.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.627 1.103 . . . . 0.0 109.585 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.63 -32.41 72.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.063 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.26 -29.11 69.65 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.176 0.898 . . . . 0.0 112.192 172.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -77.95 -46.38 21.31 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.321 0.964 . . . . 0.0 109.369 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.88 -26.54 67.49 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.877 0.471 . . . . 0.0 111.503 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.1 -55.43 31.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.801 0.841 . . . . 0.0 109.752 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -62.94 -35.29 79.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.024 0.93 . . . . 0.0 111.751 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.4 -41.4 93.69 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.085 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -149.04 -37.85 0.16 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -170.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.68 -28.16 64.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.768 1.622 . . . . 0.0 111.594 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.63 -12.86 25.87 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -58.69 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.903 0.774 . . . . 0.0 112.095 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -134.46 -22.24 1.73 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.466 1.106 . . . . 0.0 112.895 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.48 -35.71 37.06 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.313 0.958 . . . . 0.0 114.118 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.9 m -68.91 -0.02 5.03 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.54 -26.09 53.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.364 0.984 . . . . 0.0 111.807 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -141.93 170.35 15.89 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.384 1.074 . . . . 0.0 108.711 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -58.42 -31.95 68.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.467 1.907 . . . . 0.0 112.215 -174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.38 161.01 29.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.11 171.07 19.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.874 1.67 . . . . 0.0 107.641 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 55.84 -100.72 0.1 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 125.479 1.514 . . . . 0.0 111.422 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.5 pt -55.34 -22.83 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.93 -43.22 77.19 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.674 1.125 . . . . 0.0 111.406 170.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.8 -45.81 81.01 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.48 -41.52 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.85 -37.7 88.5 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.763 0.825 . . . . 0.0 110.831 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -67.61 -39.42 84.76 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.148 0.579 . . . . 0.0 110.917 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.97 -37.45 84.27 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.48 -0.762 . . . . 0.0 109.855 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.4 mm -62.94 -39.56 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.459 173.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.53 -44.73 93.12 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.8 1.182 . . . . 0.0 110.423 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -60.24 -43.04 96.41 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.965 0.802 . . . . 0.0 110.873 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.4 m -61.95 -41.24 97.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.732 0.813 . . . . 0.0 110.333 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -71.49 -38.54 71.19 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.684 0.794 . . . . 0.0 111.311 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.6 -42.12 98.27 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.452 1.101 . . . . 0.0 110.524 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -54.72 121.92 9.57 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.932 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -149.33 154.55 39.15 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 106.735 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -127.41 -25.58 3.17 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.12 -41.26 90.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.341 0.518 . . . . 0.0 110.607 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 49.7 tp -80.83 149.22 29.63 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 149.27 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 110.929 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -131.84 3.59 4.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.696 1.199 . . . . 0.0 112.229 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -155.51 179.51 9.11 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 128.018 2.527 . . . . 0.0 106.104 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.55 134.2 23.51 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.43 -0.794 . . . . 0.0 111.068 173.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -162.7 151.97 15.34 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.098 2.159 . . . . 0.0 107.142 -177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.92 -39.22 63.98 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 57.3 tp -72.47 -33.19 66.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.07 0.85 . . . . 0.0 109.657 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.0 -8.42 29.84 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.739 1.216 . . . . 0.0 112.869 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -51.83 126.03 16.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.746 1.157 . . . . 0.0 112.463 -175.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.0 166.57 32.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.984 1.714 . . . . 0.0 108.487 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.12 -27.33 63.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -172.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.89 -8.78 5.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.23 1.012 . . . . 0.0 113.132 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.3 p -63.07 -21.15 65.97 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.206 0.912 . . . . 0.0 111.582 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -138.58 -41.01 0.5 Allowed 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.792 1.237 . . . . 0.0 110.648 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -59.91 129.37 41.51 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.97 0.908 . . . . 0.0 110.613 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -144.17 158.74 43.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.266 1.827 . . . . 0.0 107.667 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 C--O 1.247 0.929 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 176.396 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.96 167.07 22.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.281 1.432 . . . . 0.0 109.115 175.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -74.97 51.14 0.49 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.071 2.148 . . . . 0.0 109.689 169.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -51.25 -34.68 33.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.609 1.564 . . . . 0.0 113.829 -169.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -59.29 -45.72 90.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.84 0.745 . . . . 0.0 111.22 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.15 -43.91 73.36 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.7 mm -66.04 -41.02 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.523 -0.736 . . . . 0.0 110.063 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.47 -42.07 88.05 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.343 0.52 . . . . 0.0 111.54 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -39.2 85.88 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -61.31 -50.83 78.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -45.2 95.52 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 119.156 0.889 . . . . 0.0 111.182 -173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 m -69.73 -30.08 67.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.336 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 m -66.82 -46.22 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.163 1.347 . . . . 0.0 110.151 171.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.81 -48.45 79.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -60.51 -46.71 89.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.327 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.6 ptp -65.06 -33.34 75.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.766 1.166 . . . . 0.0 112.204 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -83.49 -28.35 28.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.106 0.563 . . . . 0.0 111.823 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.4 159.18 24.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.441 1.115 . . . . 0.0 112.385 -170.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.34 136.03 88.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.424 169.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.47 -30.07 20.03 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.668 2.912 . . . . 0.0 115.575 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -61.17 -21.27 63.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.742 0.817 . . . . 0.0 112.425 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.62 -13.58 42.35 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.62 1.168 . . . . 0.0 111.201 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -60.95 -44.0 93.2 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 116.634 -1.65 . . . . 0.0 112.996 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -56.19 -39.88 88.37 Favored 'Trans proline' 0 C--N 1.351 0.689 0 CA-C-N 122.485 1.923 . . . . 0.0 112.789 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.19 -41.62 94.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.495 -0.753 . . . . 0.0 110.351 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.12 -28.98 64.7 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.8 -39.93 94.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.558 1.072 . . . . 0.0 110.112 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.61 -46.06 77.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -56.19 -46.13 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.791 0.836 . . . . 0.0 110.726 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -56.55 -54.38 46.51 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.863 0.865 . . . . 0.0 110.102 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.1 83.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 118.881 -0.58 . . . . 0.0 110.273 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -70.99 -36.03 72.32 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 119.311 0.96 . . . . 0.0 111.669 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.08 -44.59 96.34 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.272 1.396 . . . . 0.0 109.776 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.42 -34.98 78.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.891 0.476 . . . . 0.0 111.24 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -75.72 -0.55 21.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.182 0.993 . . . . 0.0 112.704 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 57.09 42.81 25.25 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.072 1.349 . . . . 0.0 110.686 -172.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.7 mt -111.11 66.7 0.63 Allowed 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 125.699 1.6 . . . . 0.0 109.122 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -51.83 -39.37 58.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.647 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -71.03 -47.3 59.41 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.784 0.434 . . . . 0.0 109.9 -173.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.38 -41.78 94.51 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.829 0.852 . . . . 0.0 111.451 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.17 -37.26 84.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.148 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.4 m -68.42 -35.66 77.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.953 0.797 . . . . 0.0 110.463 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -40.48 85.61 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.833 0.853 . . . . 0.0 109.513 169.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -68.31 -45.51 72.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.498 -0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.03 -32.52 72.13 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.381 0.672 . . . . 0.0 112.098 173.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -66.73 -45.37 78.89 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.394 0.997 . . . . 0.0 109.601 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -63.41 -41.04 98.72 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.181 0.901 . . . . 0.0 110.893 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -58.93 -48.69 80.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.788 0.835 . . . . 0.0 109.626 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.47 -42.03 99.2 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.902 1.281 . . . . 0.0 111.674 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.0 -35.25 74.25 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.569 0.622 . . . . 0.0 111.326 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.88 -14.99 63.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.622 0.769 . . . . 0.0 112.264 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.87 -11.88 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.602 2.761 . . . . 0.0 116.528 174.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -74.9 55.7 0.71 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.046 1.338 . . . . 0.0 108.29 169.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -157.7 -13.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.489 ' HB ' ' HD3' ' A' ' 56' ' ' PRO 0.341 94.2 m -51.41 -67.21 0.53 Allowed Pre-proline 0 CA--C 1.543 0.7 0 CA-C-O 116.975 -1.488 . . . . 0.0 114.499 -169.053 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 94.2 Cg_exo -58.52 -33.75 98.27 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 CA-C-N 123.185 2.173 . . . . 0.0 114.487 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.237 0.926 . . . . 0.0 110.525 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.471 HH12 ' HB3' ' A' ' 84' ' ' ALA . 24.1 mtm105 -62.97 -17.34 61.95 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.784 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.41 -45.78 82.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.819 1.191 . . . . 0.0 109.922 174.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -64.13 -42.18 96.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 117.81 0.277 . . . . 0.0 110.459 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -44.84 87.21 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.268 1.027 . . . . 0.0 109.839 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -64.47 -56.69 12.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.558 -0.714 . . . . 0.0 110.392 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.08 -42.28 69.15 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -168.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.35 3.06 4.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -168.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.15 -67.92 0.87 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.641 1.11 . . . . 0.0 109.056 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.12 -26.5 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.06 0.845 . . . . 0.0 110.627 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -52.61 -29.58 26.71 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.268 0.94 . . . . 0.0 113.007 171.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -73.61 -17.7 61.14 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.098 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.89 20.9 0.89 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.113 1.324 . . . . 0.0 114.157 -170.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -10.78 7.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 120.523 1.511 . . . . 0.0 114.799 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.91 -23.58 61.5 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.041 -1.037 . . . . 0.0 112.1 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -95.74 -6.11 40.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.458 1.103 . . . . 0.0 113.16 -169.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.4 pt -136.5 167.74 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 124.145 0.978 . . . . 0.0 109.518 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -57.85 121.26 10.08 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.552 0.741 . . . . 0.0 110.873 -177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -65.0 -27.73 69.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.87 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.537 ' HA ' HG22 ' A' ' 79' ' ' VAL . 73.7 mt -68.47 -30.34 69.18 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.645 1.111 . . . . 0.0 110.472 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 m -61.81 -52.78 62.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 119.928 1.24 . . . . 0.0 109.481 170.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.03 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.629 -174.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 76' ' ' LEU . 27.4 m -68.72 -39.55 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 116.365 -1.778 . . . . 0.0 110.633 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -57.53 -39.45 76.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 122.438 2.381 . . . . 0.0 110.994 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.03 -55.48 28.75 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.2 tp -59.91 -45.72 91.65 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.747 0.819 . . . . 0.0 111.118 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -50.64 -57.94 7.04 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.906 1.683 . . . . 0.0 109.055 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' HH12 ' A' ' 58' ' ' ARG . . . -58.43 -45.87 87.63 Favored 'General case' 0 C--N 1.338 0.088 0 CA-C-N 119.047 0.84 . . . . 0.0 111.226 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -58.68 -46.64 86.78 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.201 0.524 . . . . 0.0 112.127 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.6 tp -85.31 -31.23 23.16 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.787 -0.571 . . . . 0.0 111.97 -169.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -64.97 -46.22 82.4 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.77 -23.96 66.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.893 0.477 . . . . 0.0 112.078 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 m -67.04 7.48 0.39 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 52.77 38.28 26.04 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 127.12 2.168 . . . . 0.0 112.294 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -137.74 80.6 1.81 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.458 1.123 . . . . 0.0 109.994 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -66.82 -22.3 66.01 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.92 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -76.78 -41.42 44.75 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.142 0.883 . . . . 0.0 110.383 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.41 -36.58 84.38 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.812 -0.555 . . . . 0.0 109.917 170.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -60.37 -46.12 91.09 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.28 0.491 . . . . 0.0 110.542 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.44 -50.12 72.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.233 1.013 . . . . 0.0 110.054 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -62.16 -52.13 65.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.862 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -62.47 -46.8 86.85 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.751 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 133' ' ' ILE . 4.5 mm? -80.57 -28.97 37.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 119.313 0.96 . . . . 0.0 109.82 -169.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.73 -37.36 67.77 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.496 1.044 . . . . 0.0 110.913 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.4 -42.8 87.32 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.519 -0.738 . . . . 0.0 110.968 174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.3 tp -64.86 -41.75 95.43 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.827 -0.545 . . . . 0.0 110.476 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -57.77 -44.09 85.96 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.285 0.634 . . . . 0.0 110.098 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.42 85.89 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.308 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -42.67 99.09 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.327 0.967 . . . . 0.0 110.915 175.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.35 -41.49 98.86 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.416 -0.803 . . . . 0.0 110.703 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -58.72 -30.48 67.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.121 0.568 . . . . 0.0 111.859 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -76.1 -47.03 26.03 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.448 1.022 . . . . 0.0 109.232 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.21 -38.68 87.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.27 -36.24 82.48 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.234 0.613 . . . . 0.0 110.978 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -63.69 -41.57 98.12 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 111.268 173.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.35 -44.89 93.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.64 0.655 . . . . 0.0 111.24 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -82.69 -33.86 27.53 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 118.091 -0.957 . . . . 0.0 113.168 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -141.15 -41.02 0.39 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.52 1.055 . . . . 0.0 113.774 -169.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -106.15 63.65 0.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.063 0.945 . . . . 0.0 109.619 -169.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.33 -33.13 12.6 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.194 0.998 . . . . 0.0 112.612 -174.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -145.86 165.58 28.47 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.986 1.314 . . . . 0.0 107.923 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 82.59 29.31 36.23 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -61.44 -8.02 3.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.374 1.87 . . . . 0.0 115.137 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -77.97 52.31 1.05 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.883 1.273 . . . . 0.0 110.421 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -150.98 158.03 43.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 126.135 1.774 . . . . 0.0 108.213 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -137.44 118.5 14.38 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -81.9 178.76 53.55 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -52.1 130.1 29.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.643 0.777 . . . . 0.0 110.3 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.71 -81.79 0.29 Allowed Glycine 0 C--N 1.332 0.323 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 -169.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . 0.255 7.2 pt -65.06 -22.9 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.998 -1.001 . . . . 0.0 113.026 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.01 -40.19 88.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.347 1.431 . . . . 0.0 111.228 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.86 -46.41 68.55 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 79' ' ' VAL . 61.9 mt -61.74 -38.1 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.16 -41.62 97.08 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 119.283 0.947 . . . . 0.0 110.978 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 m -66.66 -38.22 86.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.149 0.579 . . . . 0.0 110.973 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -68.32 -37.27 80.4 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.127 0.571 . . . . 0.0 109.887 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.61 HD11 ' HB2' ' A' ' 99' ' ' LEU . 2.0 mm -64.37 -42.47 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.632 0.773 . . . . 0.0 110.564 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.53 96.25 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.428 1.013 . . . . 0.0 110.31 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -59.87 -41.94 92.64 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 122.002 -0.436 . . . . 0.0 110.776 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 44.1 m -65.34 -43.41 91.02 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.619 0.767 . . . . 0.0 110.561 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -64.03 -42.57 97.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.359 0.527 . . . . 0.0 110.422 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.43 -47.37 86.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.2 -52.42 65.76 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -64.96 -38.08 89.79 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.394 0.997 . . . . 0.0 110.713 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -63.99 -39.52 94.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.022 0.529 . . . . 0.0 111.323 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.07 -38.91 56.51 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.041 -0.412 . . . . 0.0 111.534 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.69 -41.85 91.64 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.114 0.965 . . . . 0.0 111.842 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.18 -11.63 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.42 -26.93 68.96 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.714 1.143 . . . . 0.0 111.312 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -60.46 137.22 58.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.557 0.617 . . . . 0.0 109.518 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -162.16 161.0 27.84 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.423 1.089 . . . . 0.0 108.557 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.0 t0 44.14 48.84 7.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.236 1.814 . . . . 0.0 113.426 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.7 120.09 9.4 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.66 -56.97 5.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.138 0.575 . . . . 0.0 110.228 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 27.3 t70 38.6 47.77 1.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.783 2.033 . . . . 0.0 113.286 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.26 153.76 43.12 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.497 -0.752 . . . . 0.0 110.32 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.93 -43.42 94.97 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.209 1.003 . . . . 0.0 111.068 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.18 136.26 46.39 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.021 0.528 . . . . 0.0 109.662 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.5 117.52 6.85 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.5 p -66.72 -42.58 86.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.044 0.938 . . . . 0.0 111.147 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 64.2 tp -157.44 141.46 16.07 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.988 1.715 . . . . 0.0 106.647 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.57 -35.92 60.51 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.64 152.46 42.17 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.624 0.77 . . . . 0.0 109.896 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.247 0.954 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.294 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -156.72 143.47 18.54 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.665 1.186 . . . . 0.0 108.772 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -158.05 112.7 2.61 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 169.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -49.41 -46.36 47.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -62.62 -42.33 99.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.468 0.576 . . . . 0.0 111.561 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.37 -35.4 54.52 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -175.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.41 -44.95 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.2 -39.09 78.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.358 0.663 . . . . 0.0 112.261 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -68.97 -37.22 78.65 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.0 mt -62.62 -51.76 68.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-O 118.333 -0.841 . . . . 0.0 108.843 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -41.67 91.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.297 0.953 . . . . 0.0 111.028 -174.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -64.86 -49.89 68.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.495 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -61.77 -42.61 99.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.117 1.326 . . . . 0.0 110.68 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.53 -53.66 51.51 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.366 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -56.43 -45.92 80.52 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.801 0.728 . . . . 0.0 111.288 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 73.6 mtm -62.21 -42.73 99.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.32 -28.02 47.28 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 110.705 -174.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 147.64 50.59 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.742 1.617 . . . . 0.0 112.487 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.33 139.01 96.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.2 -21.65 72.32 Favored 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 122.196 1.931 . . . . 0.0 114.036 -173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -60.87 -23.79 65.43 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.148 0.885 . . . . 0.0 111.88 175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -83.21 -17.11 43.92 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.044 0.938 . . . . 0.0 112.262 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -52.83 -46.75 96.67 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.643 -169.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -54.01 -36.85 85.65 Favored 'Trans proline' 0 C--N 1.351 0.672 0 CA-C-N 122.491 1.925 . . . . 0.0 113.631 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.81 -43.47 93.04 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . 18.0 m-85 -77.75 -25.64 49.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -63.85 -45.37 89.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.551 1.068 . . . . 0.0 109.722 171.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -62.57 -48.06 81.14 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 57.0 t80 -56.4 -46.75 80.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.624 0.77 . . . . 0.0 110.614 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.21 -54.64 44.65 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.125 0.42 . . . . 0.0 110.093 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -34.5 77.54 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.501 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -70.14 -34.08 72.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.391 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.93 -45.62 91.63 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.71 1.596 . . . . 0.0 109.603 170.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.92 -38.15 87.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.101 0.56 . . . . 0.0 111.211 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.93 -0.05 17.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.588 1.155 . . . . 0.0 112.829 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp 57.55 44.51 20.94 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.109 1.364 . . . . 0.0 110.874 -173.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 37' ' ' LEU . 52.1 mt -115.84 65.91 0.7 Allowed 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 125.738 1.615 . . . . 0.0 108.639 -177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -53.51 -39.86 64.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.529 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -67.57 -48.06 67.98 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 122.077 -0.389 . . . . 0.0 110.052 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.54 -45.56 91.43 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.165 0.986 . . . . 0.0 111.089 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.61 -36.27 71.55 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.797 -0.621 . . . . 0.0 111.059 174.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m -68.79 -33.85 74.56 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 119.058 0.845 . . . . 0.0 110.303 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.8 -41.55 91.77 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.405 1.002 . . . . 0.0 109.037 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -63.58 -43.58 96.55 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.405 0.621 . . . . 0.0 110.166 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 81' ' ' TYR . 24.8 tp -70.58 -32.86 70.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.803 0.841 . . . . 0.0 111.245 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -66.55 -37.51 85.15 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.221 -0.924 . . . . 0.0 111.072 172.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.16 -35.83 82.08 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 120.846 -1.159 . . . . 0.0 110.617 174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.27 -44.98 86.33 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.12 0.873 . . . . 0.0 110.303 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . 15.5 t80 -57.2 -30.74 64.79 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.464 1.029 . . . . 0.0 112.849 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.7 -1.46 7.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.844 0.858 . . . . 0.0 112.723 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -131.53 164.61 25.42 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.161 1.785 . . . . 0.0 108.981 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.29 19.87 4.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.933 1.293 . . . . 0.0 112.519 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.76 68.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.582 -0.699 . . . . 0.0 112.017 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.1 m -149.34 40.66 0.86 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.021 0.928 . . . . 0.0 111.149 -169.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.431 ' HB ' ' HD3' ' A' ' 56' ' ' PRO . 56.3 m -42.46 -46.58 11.65 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 55' ' ' THR . 52.0 Cg_exo -49.53 -24.33 9.03 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 124.099 3.2 . . . . 0.0 117.165 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.46 -34.27 70.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.108 1.322 . . . . 0.0 110.716 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 49' ' ' PHE . 62.0 mtm-85 -67.09 -20.01 65.73 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.798 -0.564 . . . . 0.0 111.883 -177.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -48.78 67.54 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -61.19 -43.16 99.32 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -51.27 69.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.37 -56.46 18.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.76 0.709 . . . . 0.0 110.635 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.74 -27.1 69.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -168.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -126.49 -8.95 6.29 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -169.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -131.2 -61.7 0.91 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 119.513 1.051 . . . . 0.0 109.382 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.54 -26.67 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 120.046 1.294 . . . . 0.0 110.482 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 p -55.24 -22.65 18.87 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.954 1.252 . . . . 0.0 113.109 171.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -83.66 -7.09 59.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 118.233 -0.889 . . . . 0.0 112.717 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.33 27.61 0.67 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.895 1.225 . . . . 0.0 112.167 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -62.59 155.76 25.12 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.628 -1.295 . . . . 0.0 109.996 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 66.21 -18.15 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.026 2.131 . . . . 0.0 114.725 -170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -68.19 -18.44 64.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.956 1.253 . . . . 0.0 110.76 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -131.19 173.05 15.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 126.116 1.766 . . . . 0.0 108.725 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -52.4 121.58 7.24 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.724 0.809 . . . . 0.0 110.815 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -64.34 -34.6 78.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.094 0.958 . . . . 0.0 110.43 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.89 -27.61 65.95 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.378 174.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.3 m -69.99 -43.44 71.41 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 120.481 1.491 . . . . 0.0 111.321 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -61.8 -44.34 98.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 120.361 1.437 . . . . 0.0 109.952 -177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.53 -41.04 87.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-O 116.982 -1.485 . . . . 0.0 110.111 175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -52.22 -42.26 63.42 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 121.805 2.093 . . . . 0.0 111.643 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CE2' HD23 ' A' ' 45' ' ' LEU . 10.9 m-85 -66.58 -54.4 23.93 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 122.6 0.36 . . . . 0.0 110.217 178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.5 -46.97 83.14 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.588 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.4 mt -51.59 -55.71 17.66 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 126.458 1.903 . . . . 0.0 108.837 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.26 83.63 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 120.253 1.388 . . . . 0.0 111.517 -172.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 m -67.57 -46.08 73.72 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.445 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.29 -32.9 49.65 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.701 -0.625 . . . . 0.0 111.807 -169.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -67.14 -38.82 86.18 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.739 0.815 . . . . 0.0 109.776 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.01 -29.63 65.63 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.139 0.427 . . . . 0.0 112.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.8 m -57.53 156.89 7.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.608 0.763 . . . . 0.0 111.438 175.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 7.76 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -169.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -152.3 151.72 31.25 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.739 1.215 . . . . 0.0 108.606 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -125.66 -3.1 7.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.854 0.862 . . . . 0.0 113.245 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.36 -35.2 75.62 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 169.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.86 -36.58 81.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.165 0.586 . . . . 0.0 110.707 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 m -64.09 -46.23 85.19 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.826 0.739 . . . . 0.0 110.588 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.27 -49.78 66.19 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.003 0.921 . . . . 0.0 109.609 175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.6 -54.01 46.07 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 122.938 0.495 . . . . 0.0 111.532 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.61 -43.19 99.43 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.021 0.528 . . . . 0.0 111.088 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.21 -24.99 32.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.327 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.95 -41.2 91.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.778 1.172 . . . . 0.0 109.563 169.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.82 -40.84 83.78 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.911 -0.493 . . . . 0.0 111.425 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.84 -40.16 87.84 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.543 -0.723 . . . . 0.0 110.47 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -56.23 -44.49 79.65 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 118.142 -0.933 . . . . 0.0 109.07 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.77 85.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.162 0.892 . . . . 0.0 111.259 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -47.1 85.8 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.601 1.091 . . . . 0.0 110.485 175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -67.36 -36.33 81.17 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.83 -0.544 . . . . 0.0 111.145 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.33 -27.59 68.7 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.732 0.813 . . . . 0.0 111.654 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -75.29 -42.99 53.54 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.258 0.935 . . . . 0.0 109.732 171.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.92 -25.62 68.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.361 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.27 -35.27 67.26 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.717 0.807 . . . . 0.0 111.483 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.6 m -65.57 -14.02 60.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.627 0.771 . . . . 0.0 112.546 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -110.12 -43.91 3.86 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 125.341 1.456 . . . . 0.0 110.678 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -83.06 -12.89 56.75 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -142.4 59.63 1.45 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.385 1.474 . . . . 0.0 108.155 -178.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -55.94 154.35 7.49 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.639 -0.663 . . . . 0.0 109.749 169.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -58.03 -35.8 71.81 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.854 0.461 . . . . 0.0 110.994 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -145.22 128.95 17.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.03 -1.99 7.28 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.796 -1.002 . . . . 0.0 113.796 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 m -145.69 165.9 27.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.815 1.308 . . . . 0.0 110.506 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -137.01 -8.45 1.8 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.062 0.945 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.15 141.04 54.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.169 1.35 . . . . 0.0 109.811 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.11 -11.84 59.39 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -171.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.73 28.06 67.48 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 119.644 1.111 . . . . 0.0 111.673 -169.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -75.77 75.2 2.73 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.307 1.443 . . . . 0.0 110.857 -172.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -160.29 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 124.254 0.93 . . . . 0.0 110.817 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 5.7 pt -63.76 -21.9 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 118.41 1.105 . . . . 0.0 113.286 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.4 -39.08 92.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.272 1.396 . . . . 0.0 110.88 170.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -71.81 -45.53 61.21 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 52.4 mt -60.35 -39.85 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.757 0.708 . . . . 0.0 109.393 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.46 -40.55 97.41 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.632 0.773 . . . . 0.0 111.504 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 m -66.77 -39.68 87.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.72 0.408 . . . . 0.0 110.909 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -65.71 -48.71 71.08 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.26 1.024 . . . . 0.0 109.711 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -31.15 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 118.182 -0.914 . . . . 0.0 111.327 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.72 92.17 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 120.283 1.401 . . . . 0.0 110.674 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -60.09 -42.89 95.62 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.859 0.754 . . . . 0.0 110.308 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -40.88 97.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.046 0.538 . . . . 0.0 110.806 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.29 -43.15 87.13 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.434 -0.791 . . . . 0.0 110.496 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.96 -31.82 72.2 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.556 0.742 . . . . 0.0 110.819 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -15.38 26.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 176.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -68.59 -21.84 64.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.455 1.025 . . . . 0.0 111.716 172.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.37 163.79 8.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.893 0.877 . . . . 0.0 110.736 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -136.16 157.57 46.5 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.3 1.44 . . . . 0.0 109.177 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 tp -148.29 161.95 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.228 1.411 . . . . 0.0 108.522 -171.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.5 t 56.49 45.33 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.289 1.036 . . . . 0.0 109.68 -173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -61.42 -17.62 55.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.824 0.85 . . . . 0.0 112.929 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.93 156.5 45.49 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.693 1.597 . . . . 0.0 107.792 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -67.61 -33.66 75.43 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.361 0.264 . . . . 0.0 111.315 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -162.98 167.57 22.32 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.562 1.945 . . . . 0.0 106.948 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.49 -39.68 58.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.274 0.943 . . . . 0.0 111.074 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.09 -29.78 69.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.928 0.891 . . . . 0.0 112.259 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.55 -29.68 23.99 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.424 0.689 . . . . 0.0 110.655 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.57 -51.18 45.48 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.023 0.929 . . . . 0.0 111.732 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -19.39 64.4 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.86 0.754 . . . . 0.0 112.306 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.38 -6.37 53.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.206 1.002 . . . . 0.0 111.816 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -129.84 -17.54 3.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.186 0.994 . . . . 0.0 112.565 -170.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 2.9 p -58.95 155.97 12.41 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.44 1.018 . . . . 0.0 111.503 173.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -64.2 171.58 2.94 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.942 0.897 . . . . 0.0 111.56 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -144.94 157.89 43.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.458 1.503 . . . . 0.0 107.835 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 159' ' ' LYS . 0.0 OUTLIER -60.98 -23.42 65.36 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.248 0.975 0 C-N-CA 124.1 0.96 . . . . 0.0 109.663 179.113 . . . . . . . . 0 0 . 1 stop_ save_