data_1ucp_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 1ucp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.471 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 114.688 1.366 . . . . 1.0 114.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 116.023 1.86 . . . . 1.0 116.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' H ' HD11 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.076 0.769 . . . . 1.0 113.076 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' A' ' 55' ' ' LYS . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.2 m . . . . . 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HZ3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 117.848 -1.073 . . . . 1.0 113.81 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.47 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.588 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' H ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 116.519 2.044 . . . . 1.0 116.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' H ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.558 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.558 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.343 1.238 . . . . 1.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.511 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.486 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.25 -1.357 . . . . 1.0 113.978 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.541 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.482 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.019 1.118 . . . . 1.0 114.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 44' ' ' LEU . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' HE2' ' A' ' 24' ' ' LYS . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 81' ' ' MET . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.413 ' H ' ' CG ' ' A' ' 80' ' ' GLU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.854 1.057 . . . . 1.0 113.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 HG22 ' HZ3' ' A' ' 55' ' ' LYS . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' HA ' ' HZ3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HZ3' HG22 ' A' ' 39' ' ' ILE . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.422 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD22 ' HH ' ' A' ' 64' ' ' TYR . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.415 ' HH ' HD22 ' A' ' 32' ' ' LEU . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.503 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.421 ' H ' ' CZ ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 117.117 -1.421 . . . . 1.0 113.512 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.563 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' H ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 76' ' ' MET . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HZ3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 26' ' ' LYS . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.546 -1.216 . . . . 1.0 114.113 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 81' ' ' MET 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.4 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 114.227 1.195 . . . . 1.0 114.227 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.414 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB2' ' H ' ' A' ' 16' ' ' THR . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' MET . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.414 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 4.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 107.812 -1.181 . . . . 1.0 107.812 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.86 162.03 11.16 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.247 1.403 . . . . 1.0 110.098 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -54.49 -35.86 63.55 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.471 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m -83.71 -37.3 22.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -151.68 80.33 1.28 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.287 1.435 . . . . 1.0 111.285 -174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.15 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 79.15 -134.33 13.7 Favored Glycine 0 CA--C 1.518 0.278 0 O-C-N 121.741 -0.599 . . . . 1.0 112.985 160.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.81 -26.07 5.26 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.26 1.424 . . . . 1.0 114.688 -174.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.0 m -63.71 -46.54 84.99 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -164.1 113.77 1.23 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 127.529 2.332 . . . . 1.0 108.915 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.251 1.176 0 N-CA-C 106.71 -1.589 . . . . 1.0 106.71 174.488 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 121.481 0.658 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.03 155.39 8.47 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 128.898 3.142 . . . . 1.0 105.624 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -40.19 -50.97 2.7 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 126.395 1.878 . . . . 1.0 116.023 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' H ' HD11 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.8 m -50.35 -54.27 22.88 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -99.7 81.8 2.53 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.187 1.795 . . . . 1.0 109.105 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.119 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.287 0.565 . . . . 1.0 110.193 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 147.63 5.05 Favored Glycine 0 C--O 1.222 -0.635 0 N-CA-C 106.005 -2.838 . . . . 1.0 106.005 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -47.31 56.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.97 2.385 . . . . 1.0 113.076 -174.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' A' ' 55' ' ' LYS . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -68.09 -44.87 75.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -92.23 68.6 5.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.079 2.552 . . . . 1.0 106.155 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 106.731 -1.581 . . . . 1.0 106.731 175.038 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 146.01 19.72 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.193 -2.363 . . . . 1.0 107.193 -166.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -52.02 -47.38 65.01 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -70.5 -14.75 62.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -80.51 50.86 1.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.985 1.714 . . . . 1.0 107.948 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 128.199 2.6 . . . . 1.0 106.075 175.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 164.95 20.41 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.382 -0.826 . . . . 1.0 113.583 142.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -55.73 -20.95 16.4 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.2 m -62.39 -44.91 95.33 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -152.13 93.36 1.81 Allowed 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.312 1.445 . . . . 1.0 107.697 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 124.256 1.022 . . . . 1.0 109.192 -175.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.37 -161.55 34.59 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -166.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -49.11 -29.42 5.24 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HZ3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.434 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 91' ' ' GLN . 2.7 m -71.51 -3.98 24.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.43 30.99 0.12 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.339 -1.475 . . . . 1.0 110.418 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 89' ' ' THR . 10.3 tp60 . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.564 2.346 . . . . 1.0 105.913 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 107.824 -1.176 . . . . 1.0 107.824 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 170.35 35.06 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.133 -1.187 . . . . 1.0 110.133 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -49.78 -40.2 40.63 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.148 1.779 . . . . 1.0 113.81 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.47 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.588 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.3 m -67.84 -31.82 71.91 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -161.58 105.78 1.27 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.482 1.913 . . . . 1.0 109.193 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.252 1.221 0 N-CA-C 104.898 -2.26 . . . . 1.0 104.898 174.097 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.21 -163.23 36.93 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.111 1.815 . . . . 1.0 109.074 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -50.04 -20.36 0.94 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' H ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.4 m -81.6 -28.9 33.54 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -160.89 117.0 2.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 123.404 1.573 . . . . 1.0 111.074 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 129.861 3.264 . . . . 1.0 103.08 174.357 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 106.736 -1.579 . . . . 1.0 106.736 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.52 -137.85 13.71 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 108.677 -1.769 . . . . 1.0 108.677 -145.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -36.96 -31.0 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 131.203 3.801 . . . . 1.0 116.519 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' H ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.558 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.558 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 m -77.5 -7.88 56.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -81.45 74.76 8.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.215 1.406 . . . . 1.0 107.773 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 106.666 -1.605 . . . . 1.0 106.666 174.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttm . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.413 -0.958 . . . . 1.0 108.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.71 126.56 3.72 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 105.318 -3.113 . . . . 1.0 105.318 -164.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -51.85 -44.5 63.66 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.271 2.035 . . . . 1.0 114.343 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.511 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.486 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -56.93 -57.37 12.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -156.15 109.34 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.908 2.483 . . . . 1.0 108.943 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.248 0.987 0 C-N-CA 125.23 1.412 . . . . 1.0 108.254 174.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' H1 ' ' CD ' ' A' ' 62' ' ' GLU . 2.2 tpt . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 107.615 -1.254 . . . . 1.0 107.615 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.17 -133.94 50.6 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 114.578 0.591 . . . . 1.0 114.578 162.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -29.2 3.42 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 126.225 1.81 . . . . 1.0 113.978 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.541 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.482 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -31.99 72.8 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -166.88 105.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.062 1.745 . . . . 1.0 107.741 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.096 -0.954 . . . . 1.0 108.992 -177.771 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.07 159.55 12.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 106.375 -2.69 . . . . 1.0 106.375 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -45.95 -48.36 16.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.404 2.102 . . . . 1.0 114.019 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 44' ' ' LEU . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' HE2' ' A' ' 24' ' ' LYS . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 81' ' ' MET . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.413 ' H ' ' CG ' ' A' ' 80' ' ' GLU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m -79.64 -31.94 41.61 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -166.33 112.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.566 1.546 . . . . 1.0 111.201 -174.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.246 1.818 . . . . 1.0 108.507 174.654 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 110.259 -0.275 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.7 142.85 13.82 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.415 -2.274 . . . . 1.0 107.415 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.93 -46.88 16.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.787 1.293 . . . . 1.0 113.854 -174.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 HG22 ' HZ3' ' A' ' 55' ' ' LYS . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' HA ' ' HZ3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HZ3' HG22 ' A' ' 39' ' ' ILE . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.422 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -83.85 -8.13 59.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.8 34.96 0.35 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.274 1.83 . . . . 1.0 111.248 -177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 N-CA-C 107.028 -1.471 . . . . 1.0 107.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttp . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 120.385 0.136 . . . . 1.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.83 117.98 1.11 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.172 -1.971 . . . . 1.0 108.172 -168.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -54.74 -31.88 59.05 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD22 ' HH ' ' A' ' 64' ' ' TYR . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.415 ' HH ' HD22 ' A' ' 32' ' ' LEU . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.503 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 m -98.01 -5.32 34.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -79.38 41.56 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.637 1.975 . . . . 1.0 110.79 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.254 1.326 0 N-CA-C 105.816 -1.92 . . . . 1.0 105.816 177.281 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.78 -173.46 45.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.221 -1.551 . . . . 1.0 109.221 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.421 ' H ' ' CZ ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -52.12 -18.04 1.31 Allowed 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 125.671 1.588 . . . . 1.0 113.512 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.563 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.4 m -66.46 -45.32 80.12 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -150.51 88.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.966 2.107 . . . . 1.0 108.187 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HG2' ' H ' ' A' ' 2' ' ' GLY . 15.7 ttp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 142.57 -167.23 26.27 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.819 -1.712 . . . . 1.0 108.819 178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -49.34 -37.77 25.75 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD11 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' H ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.5 m -60.86 -32.07 71.5 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -164.31 99.69 0.83 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.611 1.964 . . . . 1.0 108.237 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.098 0.559 . . . . 1.0 110.528 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.56 165.03 14.11 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 107.855 -2.098 . . . . 1.0 107.855 -166.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -50.15 -35.38 25.77 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.021 1.91 . . . . 1.0 115.002 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 76' ' ' MET . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HZ3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 26' ' ' LYS . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m -68.55 -47.56 66.53 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -154.87 103.48 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 129.605 3.162 . . . . 1.0 109.096 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.304 1.041 . . . . 1.0 109.225 174.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.0 20.95 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 165.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -49.82 -26.41 3.95 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.053 1.341 . . . . 1.0 114.113 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD2' ' H ' ' A' ' 82' ' ' ALA . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 81' ' ' MET 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.4 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m -69.51 -41.99 75.31 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -152.62 100.36 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 129.462 3.105 . . . . 1.0 108.916 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 110.274 -0.269 . . . . 1.0 110.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.05 -134.08 50.41 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 116.427 1.331 . . . . 1.0 116.427 149.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -42.42 -44.3 3.94 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 128.131 2.573 . . . . 1.0 114.227 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.414 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB2' ' H ' ' A' ' 16' ' ' THR . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' MET . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.414 ' H ' ' CG ' ' A' ' 80' ' ' GLU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.1 m -70.33 -59.38 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -141.11 104.96 4.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 128.303 2.641 . . . . 1.0 109.483 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.232 0 N-CA-C 105.754 -1.943 . . . . 1.0 105.754 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 73' ' ' LEU . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 68' ' ' LEU . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 56' ' ' LEU . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 15' ' ' LEU . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 114.688 1.366 . . . . 1.0 114.688 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 27' ' ' LEU . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 68' ' ' LEU . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 56' ' ' LEU . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 78' ' ' LEU . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 4' ' ' ALA . 33.0 m . . . . . 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 116.023 1.86 . . . . 1.0 116.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CG ' HD22 ' A' ' 52' ' ' LEU . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 27' ' ' LEU . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.747 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD22 HD21 ' A' ' 56' ' ' LEU . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 78' ' ' LEU . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 81' ' ' MET . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 78' ' ' LEU . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' A' ' 11' ' ' ALA . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.8 m . . . . . 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.076 0.769 . . . . 1.0 113.076 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 27' ' ' LEU . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.5 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 57' ' ' VAL . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 56' ' ' LEU . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.439 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 70' ' ' ALA . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.52 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 57' ' ' VAL . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' A' ' 52' ' ' LEU . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 68' ' ' LEU . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD21 HD22 ' A' ' 68' ' ' LEU . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 5' ' ' ARG . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 27' ' ' LEU . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 69' ' ' THR . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.52 HG23 ' HA ' ' A' ' 4' ' ' ALA . 18.6 m . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.445 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 27' ' ' LEU . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD2' HD21 ' A' ' 68' ' ' LEU . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 26' ' ' LYS . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.776 HD21 HD22 ' A' ' 68' ' ' LEU . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD21 ' A' ' 56' ' ' LEU . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 78' ' ' LEU . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.445 HG23 ' CA ' ' A' ' 4' ' ' ALA . 85.2 m . . . . . 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 12' ' ' LEU . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 27' ' ' LEU . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 27' ' ' LEU . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 68' ' ' LEU . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD22 HD13 ' A' ' 78' ' ' LEU . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.655 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 78' ' ' LEU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 117.848 -1.073 . . . . 1.0 113.81 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD21 HD21 ' A' ' 68' ' ' LEU . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 HD22 ' A' ' 68' ' ' LEU . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 HD21 ' A' ' 56' ' ' LEU . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.416 ' N ' HD23 ' A' ' 68' ' ' LEU . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HB3' HD22 ' A' ' 78' ' ' LEU . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.524 ' C ' HD23 ' A' ' 78' ' ' LEU . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.613 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 69' ' ' THR . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 4' ' ' ALA . 31.3 m . . . . . 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.534 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 27' ' ' LEU . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' A' ' 23' ' ' PHE . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 HD22 ' A' ' 68' ' ' LEU . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 56' ' ' LEU . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 27' ' ' LEU . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 78' ' ' LEU . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.4 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 116.519 2.044 . . . . 1.0 116.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' HB2' HG23 ' A' ' 89' ' ' THR . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 73' ' ' LEU . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' LEU . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HE ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HE ' ' A' ' 41' ' ' ARG . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 68' ' ' LEU . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.679 HG13 ' HA ' ' A' ' 62' ' ' GLU . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 57' ' ' VAL . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 HD21 ' A' ' 56' ' ' LEU . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 HD13 ' A' ' 78' ' ' LEU . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.626 HD13 HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' ALA . 6.7 m . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.343 1.238 . . . . 1.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.499 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.886 HD21 HD22 ' A' ' 68' ' ' LEU . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.886 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.633 ' HB3' HD22 ' A' ' 78' ' ' LEU . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.596 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.25 -1.357 . . . . 1.0 113.978 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.655 ' O ' HD22 ' A' ' 12' ' ' LEU . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 68' ' ' LEU . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.557 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 56' ' ' LEU . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.763 HD22 HD13 ' A' ' 78' ' ' LEU . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 73' ' ' LEU . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.467 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.019 1.118 . . . . 1.0 114.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' CD2' HD21 ' A' ' 68' ' ' LEU . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' HE2' ' A' ' 55' ' ' LYS . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 39' ' ' ILE . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 68' ' ' LEU . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HA ' HG13 ' A' ' 57' ' ' VAL . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 56' ' ' LEU . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 78' ' ' LEU . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 78' ' ' LEU . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.476 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 11' ' ' ALA . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.854 1.057 . . . . 1.0 113.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.46 ' O ' HD22 ' A' ' 12' ' ' LEU . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 27' ' ' LEU . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 27' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HD3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.648 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 68' ' ' LEU . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 62' ' ' GLU . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 56' ' ' LEU . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.488 ' HB3' HD21 ' A' ' 78' ' ' LEU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CG ' HD22 ' A' ' 52' ' ' LEU . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 27' ' ' LEU . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.639 HD21 HD22 ' A' ' 68' ' ' LEU . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.584 HG13 ' HA ' ' A' ' 62' ' ' GLU . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.639 HD22 HD21 ' A' ' 56' ' ' LEU . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.898 HD22 HD13 ' A' ' 78' ' ' LEU . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.898 HD13 HD22 ' A' ' 73' ' ' LEU . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.511 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.666 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 4' ' ' ALA . 2.6 m . . . . . 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 117.117 -1.421 . . . . 1.0 113.512 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD21 HD21 ' A' ' 68' ' ' LEU . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG13 ' HA ' ' A' ' 62' ' ' GLU . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 57' ' ' VAL . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.834 HD22 HD21 ' A' ' 56' ' ' LEU . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 78' ' ' LEU . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.565 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.438 ' H ' HD21 ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.415 HG23 ' CA ' ' A' ' 4' ' ' ALA . 44.4 m . . . . . 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.489 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.616 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 81' ' ' MET . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.593 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.415 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.631 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 5' ' ' ARG . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.698 HD22 HD21 ' A' ' 56' ' ' LEU . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 8' ' ' ILE . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.923 HD22 HD13 ' A' ' 78' ' ' LEU . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 73' ' ' LEU . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.923 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.501 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.489 HG23 ' CA ' ' A' ' 4' ' ' ALA . 9.5 m . . . . . 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 27' ' ' LEU . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 68' ' ' LEU . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.622 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.791 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.791 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' A' ' 78' ' ' LEU . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.487 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.546 -1.216 . . . . 1.0 114.113 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.617 ' H ' HD12 ' A' ' 28' ' ' LEU . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 56' ' ' LEU . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 78' ' ' LEU . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.616 ' HB3' HD21 ' A' ' 78' ' ' LEU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 114.227 1.195 . . . . 1.0 114.227 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.547 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 4' ' ' ALA . 46.1 m . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 107.812 -1.181 . . . . 1.0 107.812 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.86 162.03 11.16 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.247 1.403 . . . . 1.0 110.098 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -54.49 -35.86 63.55 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 73' ' ' LEU . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 68' ' ' LEU . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 56' ' ' LEU . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 15' ' ' LEU . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m -83.71 -37.3 22.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -151.68 80.33 1.28 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.287 1.435 . . . . 1.0 111.285 -174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.15 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.15 -134.33 13.7 Favored Glycine 0 CA--C 1.518 0.278 0 O-C-N 121.741 -0.599 . . . . 1.0 112.985 160.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.81 -26.07 5.26 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.26 1.424 . . . . 1.0 114.688 -174.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 27' ' ' LEU . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 68' ' ' LEU . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 56' ' ' LEU . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 78' ' ' LEU . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 4' ' ' ALA . 33.0 m -63.71 -46.54 84.99 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -164.1 113.77 1.23 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 127.529 2.332 . . . . 1.0 108.915 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.251 1.176 0 N-CA-C 106.71 -1.589 . . . . 1.0 106.71 174.488 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 121.481 0.658 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.03 155.39 8.47 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 128.898 3.142 . . . . 1.0 105.624 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -40.19 -50.97 2.7 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 126.395 1.878 . . . . 1.0 116.023 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CG ' HD22 ' A' ' 52' ' ' LEU . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 27' ' ' LEU . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.747 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD22 HD21 ' A' ' 56' ' ' LEU . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 78' ' ' LEU . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 81' ' ' MET . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 78' ' ' LEU . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' A' ' 11' ' ' ALA . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.8 m -50.35 -54.27 22.88 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -99.7 81.8 2.53 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.187 1.795 . . . . 1.0 109.105 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.119 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 174.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.287 0.565 . . . . 1.0 110.193 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 147.63 5.05 Favored Glycine 0 C--O 1.222 -0.635 0 N-CA-C 106.005 -2.838 . . . . 1.0 106.005 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -47.31 56.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.97 2.385 . . . . 1.0 113.076 -174.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 27' ' ' LEU . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.5 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 57' ' ' VAL . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 56' ' ' LEU . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.439 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 70' ' ' ALA . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -68.09 -44.87 75.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -92.23 68.6 5.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.079 2.552 . . . . 1.0 106.155 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 106.731 -1.581 . . . . 1.0 106.731 175.038 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 146.01 19.72 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.193 -2.363 . . . . 1.0 107.193 -166.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -52.02 -47.38 65.01 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 57' ' ' VAL . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' A' ' 52' ' ' LEU . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 68' ' ' LEU . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD21 HD22 ' A' ' 68' ' ' LEU . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 5' ' ' ARG . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 27' ' ' LEU . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 69' ' ' THR . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.52 HG23 ' HA ' ' A' ' 4' ' ' ALA . 18.6 m -70.5 -14.75 62.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -80.51 50.86 1.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.985 1.714 . . . . 1.0 107.948 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 128.199 2.6 . . . . 1.0 106.075 175.848 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 164.95 20.41 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.382 -0.826 . . . . 1.0 113.583 142.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -55.73 -20.95 16.4 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 27' ' ' LEU . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD2' HD21 ' A' ' 68' ' ' LEU . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 26' ' ' LYS . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.776 HD21 HD22 ' A' ' 68' ' ' LEU . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD21 ' A' ' 56' ' ' LEU . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 78' ' ' LEU . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.445 HG23 ' CA ' ' A' ' 4' ' ' ALA . 85.2 m -62.39 -44.91 95.33 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -152.13 93.36 1.81 Allowed 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.312 1.445 . . . . 1.0 107.697 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 124.256 1.022 . . . . 1.0 109.192 -175.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.37 -161.55 34.59 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -166.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -49.11 -29.42 5.24 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 12' ' ' LEU . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 27' ' ' LEU . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 27' ' ' LEU . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 68' ' ' LEU . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD22 HD13 ' A' ' 78' ' ' LEU . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.655 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 78' ' ' LEU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -71.51 -3.98 24.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.43 30.99 0.12 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.339 -1.475 . . . . 1.0 110.418 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.564 2.346 . . . . 1.0 105.913 -175.255 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 107.824 -1.176 . . . . 1.0 107.824 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 170.35 35.06 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.133 -1.187 . . . . 1.0 110.133 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -49.78 -40.2 40.63 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.148 1.779 . . . . 1.0 113.81 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD21 HD21 ' A' ' 68' ' ' LEU . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 HD22 ' A' ' 68' ' ' LEU . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 HD21 ' A' ' 56' ' ' LEU . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.416 ' N ' HD23 ' A' ' 68' ' ' LEU . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HB3' HD22 ' A' ' 78' ' ' LEU . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.524 ' C ' HD23 ' A' ' 78' ' ' LEU . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.613 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 69' ' ' THR . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 4' ' ' ALA . 31.3 m -67.84 -31.82 71.91 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -161.58 105.78 1.27 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.482 1.913 . . . . 1.0 109.193 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.252 1.221 0 N-CA-C 104.898 -2.26 . . . . 1.0 104.898 174.097 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.21 -163.23 36.93 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.111 1.815 . . . . 1.0 109.074 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -50.04 -20.36 0.94 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.534 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 27' ' ' LEU . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' A' ' 23' ' ' PHE . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 HD22 ' A' ' 68' ' ' LEU . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 56' ' ' LEU . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 27' ' ' LEU . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 78' ' ' LEU . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.4 m -81.6 -28.9 33.54 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -160.89 117.0 2.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 123.404 1.573 . . . . 1.0 111.074 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 129.861 3.264 . . . . 1.0 103.08 174.357 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 106.736 -1.579 . . . . 1.0 106.736 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.52 -137.85 13.71 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 108.677 -1.769 . . . . 1.0 108.677 -145.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -36.96 -31.0 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 131.203 3.801 . . . . 1.0 116.519 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.41 ' HB2' HG23 ' A' ' 89' ' ' THR . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 73' ' ' LEU . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' LEU . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HE ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HE ' ' A' ' 41' ' ' ARG . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 68' ' ' LEU . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.679 HG13 ' HA ' ' A' ' 62' ' ' GLU . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 57' ' ' VAL . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 HD21 ' A' ' 56' ' ' LEU . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 HD13 ' A' ' 78' ' ' LEU . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.626 HD13 HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' ALA . 6.7 m -77.5 -7.88 56.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -81.45 74.76 8.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.215 1.406 . . . . 1.0 107.773 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 106.666 -1.605 . . . . 1.0 106.666 174.839 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttm . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.413 -0.958 . . . . 1.0 108.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.71 126.56 3.72 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 105.318 -3.113 . . . . 1.0 105.318 -164.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -51.85 -44.5 63.66 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.271 2.035 . . . . 1.0 114.343 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.499 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.886 HD21 HD22 ' A' ' 68' ' ' LEU . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.886 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.633 ' HB3' HD22 ' A' ' 78' ' ' LEU . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.596 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -56.93 -57.37 12.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -156.15 109.34 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.908 2.483 . . . . 1.0 108.943 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.248 0.987 0 C-N-CA 125.23 1.412 . . . . 1.0 108.254 174.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 107.615 -1.254 . . . . 1.0 107.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.17 -133.94 50.6 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 114.578 0.591 . . . . 1.0 114.578 162.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -29.2 3.42 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 126.225 1.81 . . . . 1.0 113.978 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.655 ' O ' HD22 ' A' ' 12' ' ' LEU . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 68' ' ' LEU . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.557 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 56' ' ' LEU . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD22 HD13 ' A' ' 78' ' ' LEU . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 73' ' ' LEU . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.467 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -31.99 72.8 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -166.88 105.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.062 1.745 . . . . 1.0 107.741 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.096 -0.954 . . . . 1.0 108.992 -177.771 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.07 159.55 12.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 106.375 -2.69 . . . . 1.0 106.375 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -45.95 -48.36 16.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.404 2.102 . . . . 1.0 114.019 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' CD2' HD21 ' A' ' 68' ' ' LEU . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' HE2' ' A' ' 55' ' ' LYS . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 39' ' ' ILE . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 68' ' ' LEU . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HA ' HG13 ' A' ' 57' ' ' VAL . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 56' ' ' LEU . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 78' ' ' LEU . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 78' ' ' LEU . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.476 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 11' ' ' ALA . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m -79.64 -31.94 41.61 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -166.33 112.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.566 1.546 . . . . 1.0 111.201 -174.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.246 1.818 . . . . 1.0 108.507 174.654 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 110.259 -0.275 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.7 142.85 13.82 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.415 -2.274 . . . . 1.0 107.415 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.93 -46.88 16.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.787 1.293 . . . . 1.0 113.854 -174.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.46 ' O ' HD22 ' A' ' 12' ' ' LEU . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 27' ' ' LEU . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 27' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HD3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.648 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 68' ' ' LEU . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 62' ' ' GLU . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 56' ' ' LEU . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.488 ' HB3' HD21 ' A' ' 78' ' ' LEU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -83.85 -8.13 59.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.8 34.96 0.35 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.274 1.83 . . . . 1.0 111.248 -177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 N-CA-C 107.028 -1.471 . . . . 1.0 107.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttp . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 120.385 0.136 . . . . 1.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.83 117.98 1.11 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.172 -1.971 . . . . 1.0 108.172 -168.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -54.74 -31.88 59.05 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CG ' HD22 ' A' ' 52' ' ' LEU . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 27' ' ' LEU . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.639 HD21 HD22 ' A' ' 68' ' ' LEU . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.584 HG13 ' HA ' ' A' ' 62' ' ' GLU . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.639 HD22 HD21 ' A' ' 56' ' ' LEU . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.898 HD22 HD13 ' A' ' 78' ' ' LEU . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.898 HD13 HD22 ' A' ' 73' ' ' LEU . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.511 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.666 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 4' ' ' ALA . 2.6 m -98.01 -5.32 34.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -79.38 41.56 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.637 1.975 . . . . 1.0 110.79 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.254 1.326 0 N-CA-C 105.816 -1.92 . . . . 1.0 105.816 177.281 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.78 -173.46 45.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.221 -1.551 . . . . 1.0 109.221 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' CZ ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -52.12 -18.04 1.31 Allowed 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 125.671 1.588 . . . . 1.0 113.512 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD21 HD21 ' A' ' 68' ' ' LEU . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG13 ' HA ' ' A' ' 62' ' ' GLU . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 57' ' ' VAL . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.834 HD22 HD21 ' A' ' 56' ' ' LEU . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 78' ' ' LEU . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.565 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.438 ' H ' HD21 ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.415 HG23 ' CA ' ' A' ' 4' ' ' ALA . 44.4 m -66.46 -45.32 80.12 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -150.51 88.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.966 2.107 . . . . 1.0 108.187 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HG2' ' H ' ' A' ' 2' ' ' GLY . 15.7 ttp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.511 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 142.57 -167.23 26.27 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.819 -1.712 . . . . 1.0 108.819 178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -49.34 -37.77 25.75 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.489 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.616 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 81' ' ' MET . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.593 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.415 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.631 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 5' ' ' ARG . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.698 HD22 HD21 ' A' ' 56' ' ' LEU . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 8' ' ' ILE . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.923 HD22 HD13 ' A' ' 78' ' ' LEU . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 73' ' ' LEU . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.923 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.501 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.489 HG23 ' CA ' ' A' ' 4' ' ' ALA . 9.5 m -60.86 -32.07 71.5 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -164.31 99.69 0.83 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.611 1.964 . . . . 1.0 108.237 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.098 0.559 . . . . 1.0 110.528 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.56 165.03 14.11 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 107.855 -2.098 . . . . 1.0 107.855 -166.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -50.15 -35.38 25.77 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.021 1.91 . . . . 1.0 115.002 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 27' ' ' LEU . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 68' ' ' LEU . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.622 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.791 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' A' ' 78' ' ' LEU . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m -68.55 -47.56 66.53 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -154.87 103.48 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 129.605 3.162 . . . . 1.0 109.096 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.304 1.041 . . . . 1.0 109.225 174.866 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.0 20.95 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 165.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -49.82 -26.41 3.95 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.053 1.341 . . . . 1.0 114.113 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.617 ' H ' HD12 ' A' ' 28' ' ' LEU . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 56' ' ' LEU . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 78' ' ' LEU . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.616 ' HB3' HD21 ' A' ' 78' ' ' LEU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m -69.51 -41.99 75.31 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -152.62 100.36 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 129.462 3.105 . . . . 1.0 108.916 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 110.274 -0.269 . . . . 1.0 110.274 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.05 -134.08 50.41 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 116.427 1.331 . . . . 1.0 116.427 149.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -42.42 -44.3 3.94 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 128.131 2.573 . . . . 1.0 114.227 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.547 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 4' ' ' ALA . 46.1 m -70.33 -59.38 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -141.11 104.96 4.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 128.303 2.641 . . . . 1.0 109.483 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.232 0 N-CA-C 105.754 -1.943 . . . . 1.0 105.754 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 73' ' ' LEU . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 68' ' ' LEU . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 56' ' ' LEU . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 15' ' ' LEU . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 114.688 1.366 . . . . 1.0 114.688 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 27' ' ' LEU . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 68' ' ' LEU . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 56' ' ' LEU . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 78' ' ' LEU . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 4' ' ' ALA . 33.0 m . . . . . 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 116.023 1.86 . . . . 1.0 116.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CG ' HD22 ' A' ' 52' ' ' LEU . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 27' ' ' LEU . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.747 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD22 HD21 ' A' ' 56' ' ' LEU . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 78' ' ' LEU . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 81' ' ' MET . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 78' ' ' LEU . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' A' ' 11' ' ' ALA . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.8 m . . . . . 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.076 0.769 . . . . 1.0 113.076 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 27' ' ' LEU . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.5 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 57' ' ' VAL . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 56' ' ' LEU . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.439 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 70' ' ' ALA . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.52 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 57' ' ' VAL . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' A' ' 52' ' ' LEU . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 68' ' ' LEU . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD21 HD22 ' A' ' 68' ' ' LEU . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 5' ' ' ARG . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 27' ' ' LEU . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 69' ' ' THR . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.52 HG23 ' HA ' ' A' ' 4' ' ' ALA . 18.6 m . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.445 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 27' ' ' LEU . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD2' HD21 ' A' ' 68' ' ' LEU . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 26' ' ' LYS . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.776 HD21 HD22 ' A' ' 68' ' ' LEU . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD21 ' A' ' 56' ' ' LEU . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 78' ' ' LEU . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.445 HG23 ' CA ' ' A' ' 4' ' ' ALA . 85.2 m . . . . . 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 12' ' ' LEU . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 27' ' ' LEU . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 27' ' ' LEU . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 68' ' ' LEU . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD22 HD13 ' A' ' 78' ' ' LEU . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.655 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 78' ' ' LEU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 117.848 -1.073 . . . . 1.0 113.81 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD21 HD21 ' A' ' 68' ' ' LEU . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 HD22 ' A' ' 68' ' ' LEU . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 HD21 ' A' ' 56' ' ' LEU . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.416 ' N ' HD23 ' A' ' 68' ' ' LEU . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HB3' HD22 ' A' ' 78' ' ' LEU . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.524 HD23 ' C ' ' A' ' 78' ' ' LEU . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.613 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 69' ' ' THR . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 4' ' ' ALA . 31.3 m . . . . . 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.534 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 27' ' ' LEU . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' A' ' 23' ' ' PHE . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 HD22 ' A' ' 68' ' ' LEU . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 56' ' ' LEU . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 27' ' ' LEU . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 78' ' ' LEU . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.4 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 . . . . . 0 C--O 1.218 -0.577 0 N-CA-C 116.519 2.044 . . . . 1.0 116.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' HB2' HG23 ' A' ' 89' ' ' THR . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 73' ' ' LEU . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' LEU . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HE ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HE ' ' A' ' 41' ' ' ARG . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 68' ' ' LEU . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.679 HG13 ' HA ' ' A' ' 62' ' ' GLU . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 57' ' ' VAL . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 HD21 ' A' ' 56' ' ' LEU . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 HD13 ' A' ' 78' ' ' LEU . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.626 HD13 HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' ALA . 6.7 m . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.343 1.238 . . . . 1.0 114.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.499 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.886 HD21 HD22 ' A' ' 68' ' ' LEU . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.886 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.633 ' HB3' HD22 ' A' ' 78' ' ' LEU . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.596 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.25 -1.357 . . . . 1.0 113.978 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.655 ' O ' HD22 ' A' ' 12' ' ' LEU . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 68' ' ' LEU . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.557 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 56' ' ' LEU . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.763 HD22 HD13 ' A' ' 78' ' ' LEU . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 73' ' ' LEU . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.467 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.019 1.118 . . . . 1.0 114.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' CD2' HD21 ' A' ' 68' ' ' LEU . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' HE2' ' A' ' 55' ' ' LYS . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 39' ' ' ILE . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 68' ' ' LEU . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HA ' HG13 ' A' ' 57' ' ' VAL . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 56' ' ' LEU . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 78' ' ' LEU . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 78' ' ' LEU . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.476 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 11' ' ' ALA . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.854 1.057 . . . . 1.0 113.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.46 ' O ' HD22 ' A' ' 12' ' ' LEU . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 27' ' ' LEU . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 27' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HD3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.648 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 68' ' ' LEU . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 62' ' ' GLU . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 56' ' ' LEU . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.488 ' HB3' HD21 ' A' ' 78' ' ' LEU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CG ' HD22 ' A' ' 52' ' ' LEU . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 27' ' ' LEU . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.639 HD21 HD22 ' A' ' 68' ' ' LEU . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.584 HG13 ' HA ' ' A' ' 62' ' ' GLU . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.639 HD22 HD21 ' A' ' 56' ' ' LEU . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.898 HD22 HD13 ' A' ' 78' ' ' LEU . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.898 HD13 HD22 ' A' ' 73' ' ' LEU . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.511 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.666 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 4' ' ' ALA . 2.6 m . . . . . 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 117.117 -1.421 . . . . 1.0 113.512 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD21 HD21 ' A' ' 68' ' ' LEU . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG13 ' HA ' ' A' ' 62' ' ' GLU . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 57' ' ' VAL . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.834 HD22 HD21 ' A' ' 56' ' ' LEU . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 78' ' ' LEU . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.565 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.438 ' H ' HD21 ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.415 HG23 ' CA ' ' A' ' 4' ' ' ALA . 44.4 m . . . . . 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.489 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.616 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 81' ' ' MET . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.593 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.415 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.631 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 5' ' ' ARG . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.698 HD22 HD21 ' A' ' 56' ' ' LEU . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 8' ' ' ILE . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.923 HD22 HD13 ' A' ' 78' ' ' LEU . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 73' ' ' LEU . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.923 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.501 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.489 HG23 ' CA ' ' A' ' 4' ' ' ALA . 9.5 m . . . . . 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.002 1.482 . . . . 1.0 115.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 27' ' ' LEU . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 68' ' ' LEU . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.622 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.791 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.791 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' A' ' 78' ' ' LEU . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.546 -1.216 . . . . 1.0 114.113 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.617 ' H ' HD12 ' A' ' 28' ' ' LEU . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 56' ' ' LEU . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 78' ' ' LEU . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.616 ' HB3' HD21 ' A' ' 78' ' ' LEU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 CA--C 1.514 -0.432 0 N-CA-C 114.227 1.195 . . . . 1.0 114.227 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.547 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 4' ' ' ALA . 46.1 m . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 107.812 -1.181 . . . . 1.0 107.812 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.86 162.03 11.16 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.247 1.403 . . . . 1.0 110.098 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.4 mtt85 -54.49 -35.86 63.55 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 117.891 -1.052 . . . . 1.0 112.097 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.67 74.89 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 119.442 1.019 . . . . 1.0 109.854 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -63.61 -45.59 89.61 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -60.59 -47.06 87.88 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.42 -37.35 65.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.965 1.306 . . . . 1.0 112.35 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.4 mt -64.04 -47.74 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 N-CA-C 107.333 -1.358 . . . . 1.0 107.333 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.54 -51.15 66.1 Favored 'General case' 0 C--N 1.338 0.091 0 CA-C-N 118.839 0.745 . . . . 1.0 109.84 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -54.31 -48.08 71.71 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 123.622 0.769 . . . . 1.0 111.468 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.07 -56.16 25.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.115 0.566 . . . . 1.0 110.08 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.5 -44.01 68.7 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.344 0.658 . . . . 1.0 111.611 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -58.58 -43.48 89.46 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.397 1.079 . . . . 1.0 111.788 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.69 -14.34 62.75 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.356 1.462 . . . . 1.0 114.588 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 73' ' ' LEU . 67.5 mt -83.95 151.92 24.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 120.649 1.568 . . . . 1.0 109.401 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.2 p -97.26 178.21 5.31 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.628 1.171 . . . . 1.0 109.969 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.44 83.46 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.453 -0.779 . . . . 1.0 111.006 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -63.03 -50.42 70.75 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.127 0.971 . . . . 1.0 110.564 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.26 -42.78 88.05 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 25.4 mt -64.11 -36.0 82.59 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.373 0.988 . . . . 1.0 110.741 178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -56.95 -59.24 5.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.067 1.303 . . . . 1.0 108.917 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -60.26 -40.21 89.53 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 117.799 -1.096 . . . . 1.0 109.473 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -61.16 -52.31 65.37 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 119.734 1.152 . . . . 1.0 110.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -55.85 -37.77 69.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.989 0.916 . . . . 1.0 110.625 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.36 -47.42 49.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.454 1.024 . . . . 1.0 109.478 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -57.68 -40.94 80.57 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 126.306 1.843 . . . . 1.0 111.894 -175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -53.98 -20.85 6.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.162 2.185 . . . . 1.0 111.685 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -132.03 23.9 4.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.75 1.22 . . . . 1.0 109.201 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -104.42 -63.63 1.19 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 106.373 -1.714 . . . . 1.0 106.373 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.41 120.94 66.73 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 106.106 -1.813 . . . . 1.0 106.106 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.0 130.5 20.39 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.146 1.897 . . . . 1.0 111.02 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.97 152.81 24.25 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.449 1.1 . . . . 1.0 109.753 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -73.99 164.33 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.165 0.586 . . . . 1.0 110.181 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.72 141.74 31.23 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.075 -0.713 . . . . 1.0 109.075 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.03 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 106.561 -2.616 . . . . 1.0 106.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -69.94 176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.272 1.029 . . . . 1.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.93 154.94 16.34 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -107.32 124.25 49.52 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 118.067 0.933 . . . . 1.0 108.622 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.21 113.95 51.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 103.952 -2.611 . . . . 1.0 103.952 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -68.43 161.43 44.94 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.938 1.759 . . . . 1.0 110.547 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.34 -32.72 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.221 -0.924 . . . . 1.0 112.162 -174.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -53.51 44.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 109.268 -1.533 . . . . 1.0 109.268 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.18 -52.19 59.62 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 123.815 0.846 . . . . 1.0 109.48 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.42 -41.65 85.49 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.711 -0.662 . . . . 1.0 112.688 -176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.1 -40.6 90.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 117.938 -1.029 . . . . 1.0 112.03 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 p -70.29 -20.03 63.06 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 120.256 1.389 . . . . 1.0 113.485 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtp -88.24 166.39 14.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.258 1.823 . . . . 1.0 109.652 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 4.1 p30 -128.23 -162.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 127.171 2.188 . . . . 1.0 108.691 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -58.03 10.2 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.462 1.505 . . . . 1.0 112.868 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.49 -38.61 74.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 118.783 0.72 . . . . 1.0 110.331 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -55.93 -42.65 76.44 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.208 0.317 . . . . 1.0 110.588 174.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -51.46 56.18 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.704 -1.617 . . . . 1.0 108.644 174.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -48.8 -52.89 21.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 120.564 1.529 . . . . 1.0 110.579 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.28 -53.96 52.22 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 119.155 -0.45 . . . . 1.0 111.748 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.09 -57.48 10.47 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.281 -174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 68' ' ' LEU . 3.1 tm? -58.7 -30.53 67.49 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 127.421 2.289 . . . . 1.0 110.907 -174.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.1 t -83.07 -46.38 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 120.146 1.339 . . . . 1.0 110.26 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -65.06 -48.35 74.11 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.817 -1.177 . . . . 1.0 110.5 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -67.3 -13.43 61.99 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 128.953 2.901 . . . . 1.0 112.143 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -127.41 -96.95 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.607 -1.257 . . . . 1.0 107.607 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -168.11 170.83 10.01 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.307 3.443 . . . . 1.0 106.429 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -64.61 -61.72 2.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.922 1.237 . . . . 1.0 110.139 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 m -58.17 -52.95 63.41 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 118.094 -0.955 . . . . 1.0 110.09 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.3 -37.27 77.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.757 -0.64 . . . . 1.0 110.969 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -51.0 50.9 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 119.341 0.973 . . . . 1.0 111.199 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.46 84.43 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.174 -1.192 . . . . 1.0 110.909 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -59.58 -52.21 66.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.503 -0.76 . . . . 1.0 109.262 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 56' ' ' LEU . 6.5 tt -52.07 -54.86 25.14 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 125.576 1.55 . . . . 1.0 108.202 175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.3 m -52.9 -55.93 19.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.544 -0.91 . . . . 1.0 108.544 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.01 72.8 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.214 0.915 . . . . 1.0 112.154 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.66 -57.17 7.71 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.187 1.395 . . . . 1.0 110.688 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.46 -40.47 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.031 1.333 . . . . 1.0 109.222 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 15' ' ' LEU . 55.0 mt -61.16 -47.62 85.35 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 121.216 -0.928 . . . . 1.0 109.379 175.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.73 -30.43 70.76 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.297 -0.877 . . . . 1.0 111.371 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.44 -30.25 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.588 1.085 . . . . 1.0 109.149 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.0 mmm -67.3 -9.08 37.3 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.098 -1.001 . . . . 1.0 110.429 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.08 87.72 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 1.0 112.258 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.3 OUTLIER -74.73 126.22 30.42 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.816 2.047 . . . . 1.0 105.685 174.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -122.29 -25.14 4.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.543 1.065 . . . . 1.0 112.604 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.29 -63.67 1.03 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.493 0.588 . . . . 1.0 110.566 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.3 ttm -59.2 -34.75 72.52 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-O 116.709 -1.615 . . . . 1.0 109.6 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.29 59.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 121.973 2.169 . . . . 1.0 110.85 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.82 80.07 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 120.904 -0.665 . . . . 1.0 112.17 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -60.61 -45.02 95.56 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 118.254 -0.879 . . . . 1.0 111.315 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.29 -43.22 96.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.551 1.941 . . . . 1.0 110.92 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -55.82 -54.29 46.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.59 0.756 . . . . 1.0 109.097 175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.59 -29.39 66.92 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.26 0.837 . . . . 1.0 113.26 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.25 82.44 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.016 -1.677 . . . . 1.0 109.372 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.8 m -83.71 -37.3 22.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 112.738 0.644 . . . . 1.0 112.738 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -151.68 80.33 1.28 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.287 1.435 . . . . 1.0 111.285 -174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.15 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.15 -134.33 13.7 Favored Glycine 0 CA--C 1.518 0.278 0 O-C-N 121.741 -0.599 . . . . 1.0 112.985 160.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.81 -26.07 5.26 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.26 1.424 . . . . 1.0 114.688 -174.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.52 -53.29 59.25 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 119.711 1.141 . . . . 1.0 109.217 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.98 -48.14 77.61 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.274 -0.87 . . . . 1.0 108.923 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.15 -43.69 92.05 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 118.239 0.472 . . . . 1.0 109.811 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.1 77.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.611 -1.185 . . . . 1.0 111.469 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 mt -59.99 -52.77 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 106.901 -1.518 . . . . 1.0 106.901 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.97 -55.34 17.79 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.95 1.3 . . . . 1.0 110.15 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.94 -43.8 86.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.902 0.881 . . . . 1.0 109.529 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.18 94.63 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.388 0.675 . . . . 1.0 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.93 -46.81 87.68 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.139 0.976 . . . . 1.0 111.693 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.39 -43.12 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.904 1.281 . . . . 1.0 110.757 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -70.98 -11.79 61.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.939 1.088 . . . . 1.0 113.939 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.52 161.07 21.35 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 120.72 1.6 . . . . 1.0 108.993 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.3 p -99.07 171.13 8.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.188 -1.042 . . . . 1.0 108.188 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.81 -23.76 66.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.166 -0.959 . . . . 1.0 111.964 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -73.92 -49.14 26.14 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.629 1.172 . . . . 1.0 109.344 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.99 -41.66 95.21 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.7 -0.625 . . . . 1.0 109.52 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 34.1 mt -61.29 -35.26 76.83 Favored 'General case' 0 C--O 1.224 -0.257 0 O-C-N 121.181 -0.95 . . . . 1.0 110.43 177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -59.87 -57.57 12.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 120.215 1.371 . . . . 1.0 108.455 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -57.68 -43.62 85.21 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.272 -0.87 . . . . 1.0 110.743 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 27' ' ' LEU . 74.7 t80 -55.99 -55.27 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.12 1.768 . . . . 1.0 110.075 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.93 -27.67 69.3 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.19 0.996 . . . . 1.0 111.855 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.34 -46.71 15.64 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 119.087 0.858 . . . . 1.0 109.413 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.14 -39.5 69.52 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.869 1.267 . . . . 1.0 109.974 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.86 -24.32 36.15 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 125.218 1.407 . . . . 1.0 112.89 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.96 43.98 3.0 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 106.949 -1.5 . . . . 1.0 106.949 175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 t -122.46 -57.89 1.72 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.193 -1.78 . . . . 1.0 106.193 175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.49 121.92 84.95 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 107.125 -1.435 . . . . 1.0 107.125 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.71 110.61 3.11 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 N-CA-C 105.827 -2.413 . . . . 1.0 105.827 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.33 168.65 16.44 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.523 0.729 . . . . 1.0 109.497 -174.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -74.24 174.01 9.38 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.255 1.022 . . . . 1.0 112.705 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -83.79 165.68 18.63 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.97 2.88 89.15 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.315 0.96 . . . . 1.0 111.965 -175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.12 146.47 32.79 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 127.308 2.243 . . . . 1.0 106.223 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.84 -179.42 52.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 8.1 mtt85 -139.89 109.73 6.38 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.618 -1.623 . . . . 1.0 106.618 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.94 123.6 77.62 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 105.566 -2.012 . . . . 1.0 105.566 -174.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.19 155.98 46.79 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.102 1.868 . . . . 1.0 112.683 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -54.01 -53.48 52.36 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.507 1.523 . . . . 1.0 113.588 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.0 -43.21 95.11 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 119.701 1.137 . . . . 1.0 111.348 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.88 99.64 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.497 0.719 . . . . 1.0 109.594 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.05 -37.94 84.4 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.173 -0.918 . . . . 1.0 111.804 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.89 -37.76 79.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.572 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -70.23 -21.27 63.02 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.047 1.294 . . . . 1.0 111.27 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.6 mtp -86.58 165.72 15.97 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.86 1.264 . . . . 1.0 108.955 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -122.7 -164.82 1.22 Allowed 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 125.477 1.511 . . . . 1.0 109.064 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.07 90.18 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.041 0.937 . . . . 1.0 112.566 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 tp -70.7 -49.4 47.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.21 0.913 . . . . 1.0 110.511 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.26 -44.22 83.71 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 118.657 -0.687 . . . . 1.0 110.303 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -54.43 42.56 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-O 116.269 -1.824 . . . . 1.0 109.899 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -48.26 -53.99 15.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.839 1.654 . . . . 1.0 110.657 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -65.99 -45.27 82.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -62.5 -52.93 61.55 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.993 0.815 . . . . 1.0 109.365 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 68' ' ' LEU . 2.5 tm? -62.68 -26.46 68.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.727 2.411 . . . . 1.0 110.714 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.25 -50.08 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 119.656 1.117 . . . . 1.0 108.737 174.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.09 -49.93 75.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.942 1.697 . . . . 1.0 111.369 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.52 -6.18 48.93 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.217 2.607 . . . . 1.0 111.988 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -129.38 -96.87 0.38 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -165.32 169.53 15.72 Favored 'General case' 0 N--CA 1.47 0.555 1 C-N-CA 133.19 4.596 . . . . 1.0 106.483 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.64 -61.88 2.27 Favored 'General case' 0 C--O 1.23 0.07 0 O-C-N 121.666 -0.646 . . . . 1.0 110.465 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -67.42 -39.88 85.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.575 -174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.07 -30.06 70.0 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.537 0.608 . . . . 1.0 110.606 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.01 -46.04 76.99 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.004 -1.238 . . . . 1.0 110.004 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.09 97.82 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.729 -0.866 . . . . 1.0 110.349 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.95 -54.7 43.67 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.264 1.426 . . . . 1.0 110.067 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 56' ' ' LEU . 8.0 tt -55.92 -53.28 58.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.766 1.227 . . . . 1.0 108.855 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.6 m -54.42 -54.71 37.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.578 0.751 . . . . 1.0 109.033 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -57.46 -36.33 71.29 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.828 0.74 . . . . 1.0 111.298 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -53.86 52.31 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.76 1.164 . . . . 1.0 109.974 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.52 -45.43 86.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.92 0.888 . . . . 1.0 108.647 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 78' ' ' LEU . 77.2 mt -60.73 -52.87 63.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.462 1.105 . . . . 1.0 110.169 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.22 -31.31 71.09 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.891 -1.13 . . . . 1.0 111.663 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -65.4 -36.69 84.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.743 1.156 . . . . 1.0 108.716 174.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -71.62 -4.34 26.63 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.438 -1.414 . . . . 1.0 110.526 174.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 -3.79 85.58 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.678 1.609 . . . . 1.0 111.797 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -82.79 65.78 8.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.232 2.213 . . . . 1.0 108.95 -174.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -72.48 -27.5 62.33 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.319 -0.863 . . . . 1.0 112.474 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.54 -50.63 70.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.76 -46.95 87.58 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.801 0.84 . . . . 1.0 109.571 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.0 65.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.13 0.877 . . . . 1.0 111.709 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.19 -53.44 14.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.684 -0.566 . . . . 1.0 111.684 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -54.22 -43.19 70.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.569 1.147 . . . . 1.0 110.645 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.9 tp -64.11 -52.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 128.609 2.764 . . . . 1.0 110.458 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -60.57 -51.86 67.64 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 119.109 -1.037 . . . . 1.0 109.589 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.95 78.21 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.739 0.7 . . . . 1.0 111.7 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.23 96.89 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.343 -0.848 . . . . 1.0 109.381 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 4' ' ' ALA . 33.0 m -63.71 -46.54 84.99 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.454 0.702 . . . . 1.0 111.567 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -164.1 113.77 1.23 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 127.529 2.332 . . . . 1.0 108.915 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.251 1.176 0 N-CA-C 106.71 -1.589 . . . . 1.0 106.71 174.488 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 121.481 0.658 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.03 155.39 8.47 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 128.898 3.142 . . . . 1.0 105.624 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -40.19 -50.97 2.7 Favored 'General case' 0 C--O 1.219 -0.509 0 C-N-CA 126.395 1.878 . . . . 1.0 116.023 -173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -59.06 -53.5 57.71 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.904 0.859 . . . . 1.0 110.523 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -65.09 -43.75 91.1 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.644 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -65.6 -37.51 86.83 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.651 1.18 . . . . 1.0 109.559 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 -45.68 76.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.16 0.984 . . . . 1.0 111.183 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.37 -43.75 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.604 -0.887 . . . . 1.0 108.604 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.35 -51.95 65.1 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.235 1.014 . . . . 1.0 109.199 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -54.8 -42.38 71.73 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.25 1.02 . . . . 1.0 112.452 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -59.04 -61.2 2.82 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.739 0.7 . . . . 1.0 109.524 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CG ' HD22 ' A' ' 52' ' ' LEU . 4.2 mm? -59.81 -42.42 93.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.904 0.882 . . . . 1.0 111.677 -175.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.87 -43.84 97.71 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.523 0.729 . . . . 1.0 112.406 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.15 -7.65 54.39 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.931 -0.557 . . . . 1.0 112.338 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.23 147.24 28.12 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.239 1.495 . . . . 1.0 107.587 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -93.55 166.88 12.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.011 -1.45 . . . . 1.0 107.775 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.49 -24.82 66.85 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.181 -0.95 . . . . 1.0 112.536 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -59.26 3.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 107.975 -1.12 . . . . 1.0 107.975 176.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -58.71 -42.18 88.07 Favored 'General case' 0 C--O 1.222 -0.343 0 O-C-N 121.763 -0.586 . . . . 1.0 110.489 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 15.4 mt -62.66 -41.02 98.84 Favored 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 120.43 -1.419 . . . . 1.0 111.266 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -55.5 -53.39 56.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.534 1.061 . . . . 1.0 109.012 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -57.45 -48.12 80.0 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.078 0.951 . . . . 1.0 109.086 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 27' ' ' LEU . 84.8 t80 -57.38 -56.25 24.21 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.692 1.597 . . . . 1.0 110.222 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -59.42 -33.06 70.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.973 0.909 . . . . 1.0 111.047 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.93 -46.17 21.97 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 117.585 -1.198 . . . . 1.0 110.315 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -54.66 -43.59 72.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 120.111 1.323 . . . . 1.0 110.149 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.6 mt -49.98 -30.04 9.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 124.648 1.179 . . . . 1.0 112.214 175.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.97 41.73 3.22 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.459 0.647 . . . . 1.0 109.514 -178.219 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -123.0 -73.7 0.64 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.412 -2.069 . . . . 1.0 105.412 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.95 139.92 95.84 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 105.178 -2.156 . . . . 1.0 105.178 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.55 175.72 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 121.428 1.419 . . . . 1.0 109.621 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 6.3 tp -135.03 168.47 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.212 -2.144 . . . . 1.0 105.212 174.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 50.1 mtt-85 -73.45 176.15 6.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.361 1.064 . . . . 1.0 112.172 -174.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -83.19 165.5 19.4 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.791 -1.559 . . . . 1.0 106.791 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 -2.01 57.23 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.749 -0.595 . . . . 1.0 111.643 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -142.9 171.42 14.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 131.102 3.761 . . . . 1.0 105.131 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.18 -164.04 10.3 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 111.356 -0.697 . . . . 1.0 111.356 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 mtm105 -139.4 133.96 31.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.952 1.301 . . . . 1.0 108.238 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -83.4 132.74 48.9 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -69.37 159.06 55.17 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.512 2.142 . . . . 1.0 111.483 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' H ' HD12 ' A' ' 28' ' ' LEU . 2.7 tmt_? -65.91 -36.9 84.65 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.638 0.775 . . . . 1.0 112.916 -174.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 -45.07 96.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.86 -60.6 3.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.493 -1.299 . . . . 1.0 107.493 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.33 -40.11 64.6 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 114.171 1.175 . . . . 1.0 114.171 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.14 -39.63 68.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 117.951 -1.023 . . . . 1.0 113.075 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.92 -40.82 97.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 120.078 1.308 . . . . 1.0 110.703 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -64.99 164.67 12.29 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.581 1.952 . . . . 1.0 110.484 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -124.58 -164.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.726 2.41 . . . . 1.0 108.585 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.09 90.97 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.166 0.987 . . . . 1.0 112.731 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -48.81 30.93 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 -178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.65 -42.96 68.4 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.616 -1.183 . . . . 1.0 112.398 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.64 -61.41 2.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.92 -1.514 . . . . 1.0 107.973 174.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.9 m -44.3 -51.02 8.74 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 119.698 1.135 . . . . 1.0 111.47 -174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -71.94 -40.27 68.83 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 111.763 0.283 . . . . 1.0 111.763 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -58.6 -60.72 3.36 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.832 -0.803 . . . . 1.0 108.832 175.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.747 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -55.95 -52.64 63.45 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 130.31 3.444 . . . . 1.0 109.105 -175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.46 -34.65 71.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 120.583 -1.323 . . . . 1.0 111.639 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 t -69.72 -52.28 26.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.657 1.117 . . . . 1.0 110.626 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -59.45 -36.42 75.93 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 128.503 2.721 . . . . 1.0 111.88 -174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -107.95 -96.66 0.37 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.561 -1.274 . . . . 1.0 107.561 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -164.16 174.56 11.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 130.46 3.504 . . . . 1.0 105.93 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -64.54 -60.72 2.81 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 m -61.19 -55.26 34.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.648 1.179 . . . . 1.0 109.826 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.31 -30.73 68.56 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.007 0.821 . . . . 1.0 110.766 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.72 -51.38 47.4 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 119.607 1.094 . . . . 1.0 111.088 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.0 82.76 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.622 0.711 . . . . 1.0 110.657 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -55.04 25.24 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.365 1.066 . . . . 1.0 109.608 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD22 HD21 ' A' ' 56' ' ' LEU . 7.1 tt -49.79 -53.68 23.72 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 127.127 2.171 . . . . 1.0 109.432 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.0 m -56.83 -54.72 43.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.879 -1.156 . . . . 1.0 107.879 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.47 66.57 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.539 0.609 . . . . 1.0 112.234 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.81 -50.81 31.63 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.948 1.699 . . . . 1.0 109.368 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.07 -47.41 92.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.647 1.179 . . . . 1.0 108.769 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 78' ' ' LEU . 83.4 mt -56.36 -50.99 69.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.174 0.99 . . . . 1.0 109.646 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -38.41 71.57 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 118.069 -0.967 . . . . 1.0 111.249 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.38 -37.93 86.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 120.197 1.362 . . . . 1.0 111.308 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtp -62.48 -21.47 65.5 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.407 -0.808 . . . . 1.0 109.847 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.31 -5.65 21.47 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 127.55 2.5 . . . . 1.0 112.733 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 81' ' ' MET . 1.8 tt -73.21 120.41 18.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.8 1.64 . . . . 1.0 107.941 -174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -107.89 -46.23 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.714 0.806 . . . . 1.0 111.747 -175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.81 -66.18 0.56 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.806 2.042 . . . . 1.0 111.814 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.595 ' HB3' HD21 ' A' ' 78' ' ' LEU . 5.8 ttm -56.04 -35.56 67.04 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 117.068 -1.444 . . . . 1.0 111.15 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.19 93.61 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 121.453 1.933 . . . . 1.0 111.422 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.56 -49.73 67.27 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.79 -1.324 . . . . 1.0 109.79 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.32 -26.75 68.62 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.125 -0.941 . . . . 1.0 111.561 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' A' ' 11' ' ' ALA . 12.8 tp -66.57 -49.7 65.51 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 120.454 1.479 . . . . 1.0 109.157 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.72 -55.96 27.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.97 -1.014 . . . . 1.0 108.455 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.4 63.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.91 -61.59 1.94 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.056 -2.201 . . . . 1.0 105.056 174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.8 m -50.35 -54.27 22.88 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.505 0.722 . . . . 1.0 110.188 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -99.7 81.8 2.53 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.187 1.795 . . . . 1.0 109.105 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.119 0 N-CA-C 104.931 -2.248 . . . . 1.0 104.931 174.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.287 0.565 . . . . 1.0 110.193 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 147.63 5.05 Favored Glycine 0 C--O 1.222 -0.635 0 N-CA-C 106.005 -2.838 . . . . 1.0 106.005 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -47.31 56.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.97 2.385 . . . . 1.0 113.076 -174.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.62 63.45 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.105 0.479 . . . . 1.0 110.106 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -63.64 -52.01 62.69 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.32 0.648 . . . . 1.0 110.284 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.99 -37.12 83.65 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.921 -0.561 . . . . 1.0 110.536 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.37 74.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.569 1.148 . . . . 1.0 111.992 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.69 -48.37 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.205 -1.406 . . . . 1.0 107.205 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.7 -50.04 74.52 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 119.361 0.982 . . . . 1.0 110.533 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -54.22 -47.78 71.79 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.612 0.765 . . . . 1.0 110.131 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.13 -60.18 4.24 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.115 1.366 . . . . 1.0 111.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.4 mm? -53.33 -42.14 66.43 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.516 0.727 . . . . 1.0 112.459 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -64.04 -43.66 94.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 118.826 -0.606 . . . . 1.0 111.487 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -61.47 -16.92 51.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.338 0.972 . . . . 1.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -83.46 151.9 25.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.987 1.267 . . . . 1.0 109.119 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.0 p -93.69 168.65 10.87 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.856 0.862 . . . . 1.0 109.107 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.86 77.46 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.769 -0.634 . . . . 1.0 111.673 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.59 -37.54 70.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.329 0.968 . . . . 1.0 111.395 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.92 -46.31 82.22 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 108.141 -1.059 . . . . 1.0 108.141 174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.34 -36.91 79.08 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.673 -0.679 . . . . 1.0 111.498 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -57.07 -58.58 7.56 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 119.594 1.088 . . . . 1.0 108.224 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -64.29 -34.81 78.98 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 117.621 -1.18 . . . . 1.0 110.992 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 27' ' ' LEU . 92.3 t80 -64.42 -58.21 7.1 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 125.912 1.685 . . . . 1.0 110.591 175.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -57.57 -34.42 69.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.393 1.077 . . . . 1.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.6 -47.28 55.74 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 117.795 -1.097 . . . . 1.0 108.949 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -54.02 -45.19 71.49 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 119.612 1.097 . . . . 1.0 111.512 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -51.11 -28.33 10.49 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 125.471 1.508 . . . . 1.0 112.166 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -127.72 32.72 4.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.933 0.893 . . . . 1.0 110.154 -178.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -119.25 -66.08 1.11 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 105.979 -1.86 . . . . 1.0 105.979 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.04 121.97 77.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 106.556 -1.646 . . . . 1.0 106.556 174.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 119.47 6.5 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.41 2.074 . . . . 1.0 108.268 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -83.38 176.14 9.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.42 0.688 . . . . 1.0 109.264 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 64.8 mtt-85 -73.57 149.67 41.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.07 0.948 . . . . 1.0 110.477 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -83.46 143.4 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.411 -2.07 . . . . 1.0 105.411 174.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.83 -25.79 26.68 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.385 0.993 . . . . 1.0 111.58 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -102.76 171.29 7.5 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.791 1.295 . . . . 1.0 108.334 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 166.32 50.71 Favored Glycine 0 CA--C 1.524 0.65 0 O-C-N 121.808 -0.558 . . . . 1.0 112.836 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -147.86 137.47 22.48 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.756 -1.572 . . . . 1.0 106.756 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 mt -119.07 135.36 23.81 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 104.31 -2.478 . . . . 1.0 104.31 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -77.98 163.17 28.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 CA-C-N 121.487 1.567 . . . . 1.0 109.193 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.5 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.5 -31.06 66.68 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 120.704 -1.248 . . . . 1.0 112.673 -174.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.36 -49.15 81.71 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.51 -54.53 39.92 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.011 0.925 . . . . 1.0 109.573 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -56.63 -46.74 80.8 Favored 'General case' 0 C--O 1.227 -0.11 0 O-C-N 123.555 0.534 . . . . 1.0 111.723 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.75 -40.27 87.59 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-O 117.363 -1.303 . . . . 1.0 112.889 175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -71.26 -30.12 65.91 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.741 1.61 . . . . 1.0 112.926 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.9 mtp -69.13 164.25 22.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 122.422 1.106 . . . . 1.0 108.816 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -120.34 -171.97 2.27 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.948 2.499 . . . . 1.0 108.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.66 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.231 -0.895 . . . . 1.0 112.181 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.67 -53.23 14.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.611 1.164 . . . . 1.0 108.872 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -56.83 -43.49 81.12 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 117.621 -1.181 . . . . 1.0 110.579 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.44 -55.56 33.07 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-O 116.421 -1.752 . . . . 1.0 109.399 175.14 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -47.9 -58.62 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 120.727 1.603 . . . . 1.0 111.054 -175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.04 -35.37 78.13 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.724 0.639 . . . . 1.0 112.724 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -63.81 -63.57 1.13 Allowed 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.442 -0.947 . . . . 1.0 108.442 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 3.0 tm? -52.72 -29.96 29.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 128.536 2.734 . . . . 1.0 110.316 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.8 t -77.99 -62.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.331 0.968 . . . . 1.0 109.224 174.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -59.06 -43.01 91.68 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.212 1.369 . . . . 1.0 112.32 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -73.54 -11.24 60.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.427 2.691 . . . . 1.0 111.997 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -126.57 -96.8 0.42 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 105.702 -1.962 . . . . 1.0 105.702 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.39 167.33 27.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 130.15 3.38 . . . . 1.0 106.106 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 57' ' ' VAL . 58.5 mp0 -60.97 -60.76 3.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.934 0.894 . . . . 1.0 110.034 174.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.88 -47.07 69.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.71 -0.662 . . . . 1.0 110.02 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -64.41 -27.36 68.95 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 118.675 0.67 . . . . 1.0 111.433 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.82 -47.47 85.85 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.815 1.189 . . . . 1.0 110.186 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.49 94.07 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.67 -0.9 . . . . 1.0 110.869 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -59.66 -53.8 53.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.899 0.88 . . . . 1.0 109.399 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 56' ' ' LEU . 7.7 tt -51.96 -56.23 15.48 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 127.202 2.201 . . . . 1.0 108.737 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.0 m -54.56 -54.86 35.64 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -60.03 -34.45 73.4 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.826 0.739 . . . . 1.0 111.395 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -62.22 -53.91 48.48 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 124.697 1.199 . . . . 1.0 110.895 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.14 -48.06 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.444 1.498 . . . . 1.0 108.842 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.5 mt -59.32 -53.25 60.36 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.028 0.931 . . . . 1.0 110.229 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.4 ttp85 -60.11 -33.66 72.42 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.289 -0.882 . . . . 1.0 110.834 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.12 -38.41 90.97 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 120.091 1.314 . . . . 1.0 110.839 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.7 mtp -65.34 -12.4 51.51 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.558 0.617 . . . . 1.0 111.818 174.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.9 -11.07 55.96 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.109 2.29 . . . . 1.0 111.24 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -77.09 66.16 2.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.369 2.268 . . . . 1.0 109.946 -174.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.302 1.441 . . . . 1.0 112.427 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -69.71 -42.65 73.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.529 0.732 . . . . 1.0 111.233 -175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.439 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 51.4 ttm -66.51 -47.2 73.73 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.494 -0.928 . . . . 1.0 108.494 174.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -53.76 -37.02 62.98 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.631 0.651 . . . . 1.0 111.528 176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.77 -55.88 15.34 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.507 1.051 . . . . 1.0 112.14 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -54.75 -46.99 74.41 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.719 0.759 . . . . 1.0 110.989 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 70' ' ' ALA . 14.8 tp -57.91 -48.2 80.59 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 127.393 2.277 . . . . 1.0 110.208 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.83 -51.12 70.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.605 -0.887 . . . . 1.0 108.605 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.59 52.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.3 1.04 . . . . 1.0 113.715 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.64 -41.14 9.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.746 1.619 . . . . 1.0 110.097 174.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -68.09 -44.87 75.27 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.614 0.721 . . . . 1.0 110.132 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -92.23 68.6 5.09 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.079 2.552 . . . . 1.0 106.155 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 106.731 -1.581 . . . . 1.0 106.731 175.038 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 146.01 19.72 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.193 -2.363 . . . . 1.0 107.193 -166.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -52.02 -47.38 65.01 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 114.328 1.233 . . . . 1.0 114.328 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -53.09 -58.84 5.65 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 123.864 0.728 . . . . 1.0 110.751 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' HG2' HG21 ' A' ' 57' ' ' VAL . 53.4 mtm180 -65.62 -40.36 92.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.514 -0.755 . . . . 1.0 110.564 -175.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -59.21 -46.97 87.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.445 0.566 . . . . 1.0 109.631 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.21 68.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.235 0.614 . . . . 1.0 111.442 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.14 -50.42 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 108.075 -1.083 . . . . 1.0 108.075 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.75 -43.4 96.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.055 -0.72 . . . . 1.0 109.055 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -59.35 -42.37 91.37 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 118.322 0.51 . . . . 1.0 111.067 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.53 -53.06 57.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.878 -0.582 . . . . 1.0 110.859 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' A' ' 52' ' ' LEU . 1.4 mm? -66.41 -32.64 74.15 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 1.0 110.876 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.51 -43.5 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.096 0.862 . . . . 1.0 109.484 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.25 -16.08 63.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.297 -0.859 . . . . 1.0 112.405 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.45 151.27 25.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.552 -1.277 . . . . 1.0 107.552 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 p -100.69 177.07 5.1 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.869 1.268 . . . . 1.0 109.167 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.63 -42.14 67.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.983 0.513 . . . . 1.0 111.914 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.69 -52.17 61.79 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.779 0.831 . . . . 1.0 110.251 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -68.75 -30.41 69.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 120.976 -1.078 . . . . 1.0 110.248 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 20' ' ' LEU . 53.6 mt -70.25 -35.49 73.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.893 -1.129 . . . . 1.0 109.754 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -54.31 -54.67 37.1 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 120.304 1.411 . . . . 1.0 107.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -56.36 -60.85 2.92 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.248 -1.342 . . . . 1.0 108.0 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -49.77 -53.04 27.49 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.051 1.341 . . . . 1.0 111.221 -175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.22 -35.07 79.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.025 0.93 . . . . 1.0 110.816 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.38 -46.97 37.0 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.723 1.147 . . . . 1.0 109.876 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HE2' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -50.75 -47.08 59.56 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.24 1.816 . . . . 1.0 109.418 -176.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 68' ' ' LEU . 18.5 mt -49.08 -29.84 5.65 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 115.87 1.804 . . . . 1.0 115.87 175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.78 37.89 4.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.475 -1.306 . . . . 1.0 107.475 -175.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -130.06 -63.58 0.9 Allowed 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 104.912 -2.255 . . . . 1.0 104.912 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.35 127.97 81.62 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 103.507 -2.775 . . . . 1.0 103.507 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -69.45 133.96 27.44 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.879 1.719 . . . . 1.0 109.795 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.59 166.24 18.36 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 107.957 -1.127 . . . . 1.0 107.957 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -73.29 175.42 6.88 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.581 -0.699 . . . . 1.0 112.06 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -83.84 166.18 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 127.171 2.188 . . . . 1.0 106.779 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 5.3 63.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.307 -0.871 . . . . 1.0 112.138 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -140.99 159.96 41.09 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 129.002 2.921 . . . . 1.0 106.132 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.67 178.88 32.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.347 -0.701 . . . . 1.0 111.347 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 mtt85 -130.46 113.12 13.9 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.175 0.99 . . . . 1.0 108.617 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -83.63 119.13 73.25 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 104.315 -2.476 . . . . 1.0 104.315 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -70.11 156.24 62.91 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 CA-C-N 120.538 1.228 . . . . 1.0 111.588 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.1 ttp85 -53.75 -46.2 70.84 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 124.91 1.284 . . . . 1.0 110.477 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.08 -39.63 90.07 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 119.592 1.087 . . . . 1.0 113.585 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.71 74.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.374 1.087 . . . . 1.0 109.667 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.2 mt -56.48 -35.42 67.95 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 118.327 -0.844 . . . . 1.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -76.66 -34.87 58.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.53 1.059 . . . . 1.0 112.073 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 p -57.16 -33.77 67.77 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.434 1.016 . . . . 1.0 109.85 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.1 mtm -87.48 161.81 17.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 123.408 1.575 . . . . 1.0 113.406 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.99 -175.4 2.7 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 131.697 3.999 . . . . 1.0 105.986 174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.7 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.997 0.369 . . . . 1.0 111.997 -175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.11 -56.21 9.66 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 125.006 1.322 . . . . 1.0 110.521 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.28 -41.53 93.51 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 118.032 -0.985 . . . . 1.0 112.021 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -56.99 -52.59 64.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 116.129 -1.891 . . . . 1.0 108.201 174.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -51.29 -56.29 13.79 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 120.432 1.469 . . . . 1.0 110.74 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . 0.256 4.0 m-20 -65.78 -39.91 91.44 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.919 -1.113 . . . . 1.0 113.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.31 -59.38 5.43 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.987 0.812 . . . . 1.0 109.375 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD21 HD22 ' A' ' 68' ' ' LEU . 3.3 tm? -53.04 -47.05 68.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 129.634 3.174 . . . . 1.0 110.532 -174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 5' ' ' ARG . 7.8 t -62.67 -55.07 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.236 0.925 . . . . 1.0 110.107 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -67.03 -24.03 65.96 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.192 0.906 . . . . 1.0 112.619 -175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -76.47 -26.66 55.61 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.414 1.486 . . . . 1.0 111.267 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -123.33 -96.84 0.45 Allowed 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -159.82 168.1 26.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 130.1 3.36 . . . . 1.0 105.242 175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -62.45 -55.76 24.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.846 0.859 . . . . 1.0 108.966 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -67.75 -49.1 64.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.796 0.839 . . . . 1.0 109.992 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -60.3 -28.08 67.82 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.679 0.672 . . . . 1.0 109.219 174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.8 -52.56 49.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 123.985 0.802 . . . . 1.0 111.509 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.24 85.64 Favored 'General case' 0 C--N 1.334 -0.09 0 O-C-N 121.726 -0.867 . . . . 1.0 111.115 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -59.64 -48.76 80.4 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.833 1.253 . . . . 1.0 109.498 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 HD21 ' A' ' 27' ' ' LEU . 6.1 tt -52.71 -56.77 13.19 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 126.28 1.832 . . . . 1.0 107.317 174.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 m -55.06 -54.25 45.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 123.866 0.729 . . . . 1.0 109.088 -174.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.5 -29.0 68.82 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.724 0.809 . . . . 1.0 111.61 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -72.74 -49.49 30.66 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.608 1.095 . . . . 1.0 110.071 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.63 -47.39 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 124.129 0.972 . . . . 1.0 109.227 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 78' ' ' LEU . 76.7 mt -56.29 -50.83 70.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.543 1.137 . . . . 1.0 109.058 177.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -60.35 -33.96 73.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.403 -0.811 . . . . 1.0 112.367 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' OD1' ' HE2' ' A' ' 26' ' ' LYS . 8.9 t70 -65.94 -30.74 71.36 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.538 1.517 . . . . 1.0 109.74 176.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.92 -24.78 59.72 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.386 -0.821 . . . . 1.0 109.597 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.59 3.98 46.44 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.274 2.368 . . . . 1.0 111.831 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -81.9 77.59 8.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.404 1.881 . . . . 1.0 109.382 -175.051 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -33.98 72.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.9 -60.54 3.14 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.203 1.001 . . . . 1.0 111.802 -174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.4 tpp -48.23 -53.84 15.65 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 124.847 1.259 . . . . 1.0 108.861 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.74 -46.02 70.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.863 0.865 . . . . 1.0 111.434 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -50.46 56.61 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.368 0.509 . . . . 1.0 112.27 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -63.23 -48.46 78.15 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.658 0.783 . . . . 1.0 110.232 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 69' ' ' THR . 30.6 tp -52.39 -52.18 55.0 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 128.343 2.657 . . . . 1.0 111.835 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -61.8 -47.23 86.09 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.42 80.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.932 0.493 . . . . 1.0 111.949 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.0 87.37 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.682 0.793 . . . . 1.0 109.929 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.52 HG23 ' HA ' ' A' ' 4' ' ' ALA . 18.6 m -70.5 -14.75 62.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.433 0.693 . . . . 1.0 112.188 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -80.51 50.86 1.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.985 1.714 . . . . 1.0 107.948 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 128.199 2.6 . . . . 1.0 106.075 175.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.12 164.95 20.41 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.382 -0.826 . . . . 1.0 113.583 142.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -55.73 -20.95 16.4 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 116.365 -1.778 . . . . 1.0 112.074 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -52.53 -55.16 24.05 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 120.899 1.681 . . . . 1.0 109.687 174.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.1 -47.87 84.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.82 -39.17 93.49 Favored 'General case' 0 C--O 1.223 -0.308 0 O-C-N 123.443 0.464 . . . . 1.0 110.46 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.94 -42.98 59.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.862 1.665 . . . . 1.0 110.767 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.7 mt -61.29 -49.06 86.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.52 -1.659 . . . . 1.0 106.52 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.28 -45.63 90.73 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.542 0.737 . . . . 1.0 111.065 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -54.09 -51.53 63.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.165 1.386 . . . . 1.0 109.249 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -57.72 -55.31 36.52 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.882 1.273 . . . . 1.0 109.897 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.59 -46.9 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.063 0.945 . . . . 1.0 110.623 -176.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -62.55 -43.29 99.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.532 0.733 . . . . 1.0 109.126 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -65.09 -14.9 61.64 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.741 1.216 . . . . 1.0 113.537 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -83.75 178.89 7.74 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 120.252 1.387 . . . . 1.0 107.293 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 p -123.32 173.18 8.12 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.143 1.377 . . . . 1.0 107.986 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.24 68.6 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.654 -0.689 . . . . 1.0 112.618 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.13 -51.81 22.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.627 1.103 . . . . 1.0 109.898 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.78 -44.18 97.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.63 -37.73 85.08 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 120.355 -1.466 . . . . 1.0 110.779 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.54 -51.39 69.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 120.425 1.466 . . . . 1.0 109.756 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -57.53 -39.82 77.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 117.546 -1.216 . . . . 1.0 109.81 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 27' ' ' LEU . 42.4 t80 -62.3 -53.21 58.38 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 120.174 1.352 . . . . 1.0 109.985 175.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -54.16 -33.4 57.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.528 1.531 . . . . 1.0 111.577 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 124.201 1.0 . . . . 1.0 109.682 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 24.0 mmtt -64.97 -22.7 67.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.227 1.011 . . . . 1.0 111.807 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD2' HD21 ' A' ' 68' ' ' LEU . 20.8 mt -66.71 -9.38 35.81 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.971 1.308 . . . . 1.0 110.255 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -133.67 25.63 4.04 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 105.74 -1.948 . . . . 1.0 105.74 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 26' ' ' LYS . 47.0 t -63.45 -45.19 91.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.794 1.638 . . . . 1.0 109.461 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.46 145.23 56.36 Favored Pre-proline 0 C--O 1.237 0.395 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -64.28 134.16 40.95 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 N-CA-C 106.97 -1.973 . . . . 1.0 106.97 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 7.4 tp -83.58 179.38 7.64 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 107.704 -1.221 . . . . 1.0 107.704 -174.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 43.6 mtt180 -73.51 173.3 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.997 -1.064 . . . . 1.0 112.968 -174.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -83.62 156.51 22.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 107.869 -1.16 . . . . 1.0 107.869 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.45 63.2 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.63 175.08 9.86 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 130.343 3.457 . . . . 1.0 105.504 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.62 -172.3 13.27 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.601 -0.599 . . . . 1.0 111.601 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -138.88 142.8 38.56 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.476 1.11 . . . . 1.0 110.074 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.9 mt -84.82 121.14 74.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 102.22 -3.252 . . . . 1.0 102.22 174.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.15 159.81 51.8 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.997 1.798 . . . . 1.0 110.333 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -60.33 -39.16 86.07 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.346 -0.835 . . . . 1.0 112.586 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.04 98.73 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 119.762 1.165 . . . . 1.0 110.936 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.67 55.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.363 -0.977 . . . . 1.0 108.363 175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.6 mt -55.82 -38.05 69.47 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.25 0.62 . . . . 1.0 112.65 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.16 73.27 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.928 0.891 . . . . 1.0 110.739 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -75.57 -28.55 59.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.874 1.216 . . . . 1.0 113.571 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 mtp -79.13 165.66 23.08 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.779 1.232 . . . . 1.0 112.905 -174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -119.01 -171.09 2.03 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 127.383 2.273 . . . . 1.0 108.369 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.87 -46.96 82.62 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.876 1.27 . . . . 1.0 111.886 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.82 -45.29 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.189 -0.944 . . . . 1.0 108.468 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -55.94 -47.87 76.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 118.696 -0.669 . . . . 1.0 110.46 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.26 -50.87 71.52 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.685 -1.626 . . . . 1.0 109.366 175.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 m -54.91 -55.67 27.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 120.716 1.598 . . . . 1.0 111.017 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.78 -41.3 97.54 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -63.32 -65.35 0.7 Allowed 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.672 -0.68 . . . . 1.0 109.78 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.776 HD21 HD22 ' A' ' 68' ' ' LEU . 1.8 tm? -49.22 -48.69 45.33 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 128.501 2.72 . . . . 1.0 108.832 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.42 -52.66 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 118.826 0.739 . . . . 1.0 111.079 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 t -62.43 -43.48 98.72 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.054 1.297 . . . . 1.0 110.866 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -65.76 -21.21 66.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.884 2.074 . . . . 1.0 111.409 -175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -125.92 -96.81 0.43 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.671 0.669 . . . . 1.0 109.678 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -157.58 168.78 26.29 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 130.996 3.718 . . . . 1.0 104.288 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.2 -60.85 2.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -61.04 -50.52 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.115 1.766 . . . . 1.0 110.911 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.844 -0.535 . . . . 1.0 110.104 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.38 94.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.6 -40.89 93.16 Favored 'General case' 0 C--N 1.334 -0.076 0 O-C-N 121.949 -0.736 . . . . 1.0 111.046 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.5 -43.22 97.29 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 1.0 110.126 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.776 HD22 HD21 ' A' ' 56' ' ' LEU . 5.9 tt -60.59 -53.21 60.26 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.575 1.55 . . . . 1.0 108.253 174.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -56.09 -51.46 67.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.509 -0.923 . . . . 1.0 108.509 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HB2' HD23 ' A' ' 85' ' ' LEU . . . -58.01 -43.68 86.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.252 1.021 . . . . 1.0 111.773 175.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.68 -58.12 8.77 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.37 1.081 . . . . 1.0 110.087 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.8 t -61.17 -38.57 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 114.106 -1.406 . . . . 1.0 110.365 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 78' ' ' LEU . 45.1 mt -60.92 -46.67 89.74 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 121.225 -0.922 . . . . 1.0 109.551 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -59.43 -38.08 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.231 -0.918 . . . . 1.0 110.775 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -58.54 -40.96 84.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.562 1.073 . . . . 1.0 109.357 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.1 mtp -68.26 -5.86 20.72 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.961 -1.087 . . . . 1.0 111.49 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.92 5.81 83.15 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.656 2.075 . . . . 1.0 112.043 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -91.49 73.69 6.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.136 -1.214 . . . . 1.0 108.584 -174.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -74.24 -36.54 63.9 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.275 1.213 . . . . 1.0 114.275 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -71.43 -31.95 67.79 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.228 1.376 . . . . 1.0 112.274 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 48.3 ttm -67.38 -47.15 71.2 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.601 -1.259 . . . . 1.0 107.601 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.6 65.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.544 0.611 . . . . 1.0 111.013 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.17 -62.47 5.39 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.717 1.151 . . . . 1.0 112.026 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.8 -33.35 75.03 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 117.779 0.789 . . . . 1.0 112.3 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 70' ' ' ALA . 10.6 tp -61.2 -52.07 66.34 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 127.323 2.249 . . . . 1.0 109.799 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -54.46 -53.13 58.42 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.133 -0.692 . . . . 1.0 109.133 175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.58 64.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.64 -45.95 49.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.955 -1.091 . . . . 1.0 108.115 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.445 HG23 ' CA ' ' A' ' 4' ' ' ALA . 85.2 m -62.39 -44.91 95.33 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.824 0.85 . . . . 1.0 112.359 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -152.13 93.36 1.81 Allowed 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.312 1.445 . . . . 1.0 107.697 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 124.256 1.022 . . . . 1.0 109.192 -175.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.37 -161.55 34.59 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.299 -1.52 . . . . 1.0 109.299 -166.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -49.11 -29.42 5.24 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 116.443 -1.741 . . . . 1.0 113.08 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.86 -54.54 14.88 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 120.221 1.373 . . . . 1.0 109.539 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.76 -49.6 65.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.375 -0.829 . . . . 1.0 110.517 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.93 -22.41 65.06 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.922 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.036 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 ' O ' HD22 ' A' ' 12' ' ' LEU . 29.9 mt -60.72 -48.59 88.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 107.229 -1.397 . . . . 1.0 107.229 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.08 -61.86 1.97 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 125.654 1.582 . . . . 1.0 110.013 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -59.15 -34.27 71.88 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.028 -0.51 . . . . 1.0 110.933 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -61.39 -55.85 26.9 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.367 -0.825 . . . . 1.0 109.553 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.694 HD21 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -60.77 -42.43 97.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.423 1.011 . . . . 1.0 110.385 -175.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.15 -43.48 98.19 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -64.34 -19.0 65.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.676 1.19 . . . . 1.0 112.709 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -83.62 150.11 26.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.149 1.341 . . . . 1.0 108.224 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 p -93.74 171.81 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.13 63.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.637 -0.664 . . . . 1.0 111.774 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.42 -45.47 65.83 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.934 0.874 . . . . 1.0 109.244 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.365 -0.835 . . . . 1.0 109.073 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.17 -29.77 70.0 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 121.373 -0.829 . . . . 1.0 110.92 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -65.01 -54.89 23.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.099 1.318 . . . . 1.0 109.107 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -53.32 -47.87 68.91 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 118.17 -0.919 . . . . 1.0 108.986 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 27' ' ' LEU . 45.8 t80 -56.43 -60.26 3.78 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.762 1.225 . . . . 1.0 110.294 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 27' ' ' LEU . 93.1 mttt -58.92 -26.77 64.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.905 1.282 . . . . 1.0 112.723 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.99 -47.19 9.16 Favored 'General case' 0 C--O 1.23 0.049 0 CA-C-N 119.885 1.221 . . . . 1.0 111.053 174.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.5 -34.76 71.29 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.892 1.224 . . . . 1.0 110.771 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 68' ' ' LEU . 21.7 mt -53.23 -25.34 13.8 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.715 1.206 . . . . 1.0 112.892 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -134.54 24.12 3.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 122.977 0.511 . . . . 1.0 110.993 -174.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -98.44 -52.01 3.78 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.824 0.85 . . . . 1.0 109.303 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.63 139.48 67.05 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 108.214 -1.032 . . . . 1.0 108.214 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.97 121.14 7.06 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 N-CA-C 106.237 -2.255 . . . . 1.0 106.237 174.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -83.34 173.19 11.78 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 107.465 -1.309 . . . . 1.0 107.465 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -73.59 159.94 32.37 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.736 0.815 . . . . 1.0 109.387 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.61 166.05 18.51 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.28 -34.59 4.37 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 108.845 -1.702 . . . . 1.0 108.845 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -105.66 161.43 14.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.07 2.148 . . . . 1.0 106.218 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -170.66 24.18 Favored Glycine 0 N--CA 1.461 0.325 0 O-C-N 121.523 -0.736 . . . . 1.0 112.848 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -137.63 122.65 19.05 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 126.189 1.796 . . . . 1.0 107.008 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.2 mt -84.32 121.52 75.26 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 102.862 -3.014 . . . . 1.0 102.862 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.03 157.59 57.49 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.154 1.903 . . . . 1.0 111.232 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HE ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.57 -33.4 75.53 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 118.411 -0.804 . . . . 1.0 111.842 -174.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.51 -51.22 57.82 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.82 81.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.162 0.585 . . . . 1.0 109.621 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.54 -41.12 84.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 118.667 -0.682 . . . . 1.0 112.038 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' HE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -65.63 -47.93 73.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 117.239 -1.363 . . . . 1.0 111.117 174.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.7 p -67.79 -16.22 64.01 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.348 1.431 . . . . 1.0 112.433 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.5 mtp -86.84 165.78 15.71 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.5 1.12 . . . . 1.0 108.553 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.6 -167.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.322 2.249 . . . . 1.0 108.796 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.41 74.92 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.289 1.036 . . . . 1.0 112.35 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.2 -43.16 71.28 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.848 . . . . 1.0 108.712 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.11 -47.53 84.92 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 123.489 0.716 . . . . 1.0 110.771 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.694 HD23 HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.55 -50.09 74.24 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.697 -1.621 . . . . 1.0 108.728 176.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -55.08 -53.01 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 120.665 1.575 . . . . 1.0 110.489 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.56 -45.14 89.6 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.081 0.855 . . . . 1.0 112.856 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -64.41 0.89 Allowed 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.975 -0.453 . . . . 1.0 109.821 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 tm? -50.11 -50.34 48.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 128.772 2.829 . . . . 1.0 108.363 -177.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.15 -52.96 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 119.816 1.189 . . . . 1.0 110.702 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 t -63.0 -41.34 99.55 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.902 1.228 . . . . 1.0 111.765 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -70.42 -32.65 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 126.283 1.833 . . . . 1.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.55 -96.28 0.37 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.852 1.206 . . . . 1.0 108.918 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.5 171.03 15.13 Favored 'General case' 0 N--CA 1.477 0.875 1 C-N-CA 132.367 4.267 . . . . 1.0 105.506 174.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -62.1 -66.36 0.55 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.49 -0.93 . . . . 1.0 108.49 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -65.87 -46.89 76.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.528 -0.749 . . . . 1.0 111.354 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.07 -30.12 71.35 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.031 1.287 . . . . 1.0 110.981 176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.38 91.71 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.575 -1.01 . . . . 1.0 110.575 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.88 96.67 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.56 0.68 . . . . 1.0 110.78 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.62 -55.21 38.03 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.865 0.866 . . . . 1.0 109.213 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -47.2 -55.75 7.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.287 1.435 . . . . 1.0 108.851 176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.69 -57.01 14.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.732 0.813 . . . . 1.0 108.962 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.74 68.4 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 117.903 -1.046 . . . . 1.0 112.289 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -71.26 -51.33 25.13 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 124.937 1.295 . . . . 1.0 110.526 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.15 -46.34 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD22 HD13 ' A' ' 78' ' ' LEU . 82.4 mt -60.03 -50.79 72.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.817 0.847 . . . . 1.0 110.189 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -51.96 -45.22 64.3 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.074 1.35 . . . . 1.0 109.786 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.67 -48.54 81.26 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.017 1.327 . . . . 1.0 110.392 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.8 mtp -56.84 -16.87 7.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.223 1.409 . . . . 1.0 112.726 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 -4.65 47.08 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.165 2.317 . . . . 1.0 112.949 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.655 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -73.94 126.84 31.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 128.416 2.686 . . . . 1.0 106.89 177.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -119.95 -25.04 5.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.783 0.66 . . . . 1.0 112.783 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 1.8 pm0 -62.33 -66.43 0.54 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.678 1.191 . . . . 1.0 110.34 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 78' ' ' LEU . 27.7 ttm -59.06 -42.62 90.79 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.133 -1.413 . . . . 1.0 109.687 174.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -55.72 -42.4 75.25 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 121.145 1.793 . . . . 1.0 111.803 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -44.47 36.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.76 -36.57 79.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.807 1.304 . . . . 1.0 111.321 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.51 -49.67 65.76 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 128.786 2.834 . . . . 1.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.76 -42.7 97.78 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.142 0.577 . . . . 1.0 109.809 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.27 97.65 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 124.842 1.257 . . . . 1.0 111.246 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.86 76.26 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -71.51 -3.98 24.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.889 0.876 . . . . 1.0 112.167 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.43 30.99 0.12 Allowed 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.339 -1.475 . . . . 1.0 110.418 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.564 2.346 . . . . 1.0 105.913 -175.255 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 107.824 -1.176 . . . . 1.0 107.824 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 170.35 35.06 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.133 -1.187 . . . . 1.0 110.133 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -49.78 -40.2 40.63 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.148 1.779 . . . . 1.0 113.81 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.475 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -58.23 -49.03 78.52 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 119.424 1.011 . . . . 1.0 109.761 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -74.51 -30.83 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 118.487 -0.768 . . . . 1.0 111.721 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.64 -52.63 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 106.734 -1.58 . . . . 1.0 106.734 175.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.93 69.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.414 1.486 . . . . 1.0 112.933 -175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.89 -46.05 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 107.484 -1.302 . . . . 1.0 107.484 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.0 -51.24 70.05 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 120.012 1.278 . . . . 1.0 109.739 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -57.68 -37.6 73.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 123.547 0.53 . . . . 1.0 110.354 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.48 -49.21 43.46 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.798 0.839 . . . . 1.0 112.566 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -59.6 -35.52 74.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.737 0.699 . . . . 1.0 110.084 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -70.6 -43.46 69.3 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.292 0.637 . . . . 1.0 110.453 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -62.8 -12.38 24.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.18 -0.914 . . . . 1.0 112.356 175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.24 169.76 15.39 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 120.695 1.589 . . . . 1.0 109.049 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -103.16 170.06 8.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.537 0.735 . . . . 1.0 109.101 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.92 -36.93 70.78 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.09 0.859 . . . . 1.0 110.597 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -75.15 -42.07 56.87 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.917 1.287 . . . . 1.0 110.153 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.91 -45.71 84.75 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.27 -40.03 80.78 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 120.371 -1.456 . . . . 1.0 111.023 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -56.25 -56.38 21.68 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 108.385 -0.968 . . . . 1.0 108.385 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -58.83 -47.92 83.15 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.33 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -53.17 -52.85 57.47 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.116 1.366 . . . . 1.0 109.089 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -66.18 -34.72 78.68 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 1.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -72.42 -44.06 62.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 119.666 1.121 . . . . 1.0 110.196 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -55.66 -43.0 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.33 1.452 . . . . 1.0 109.952 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD21 HD21 ' A' ' 68' ' ' LEU . 22.8 mt -51.79 -23.08 4.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 115.059 1.503 . . . . 1.0 115.059 174.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.92 24.38 3.61 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.496 0.665 . . . . 1.0 109.561 -174.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -107.75 -76.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.342 -2.466 . . . . 1.0 104.342 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -71.06 133.21 85.99 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 106.017 -1.846 . . . . 1.0 106.017 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.32 170.81 12.67 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.315 2.01 . . . . 1.0 112.096 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.97 167.97 13.44 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.442 1.897 . . . . 1.0 108.947 -175.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -73.36 159.65 33.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.906 1.282 . . . . 1.0 113.406 -174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.14 117.33 23.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.616 -1.254 . . . . 1.0 107.616 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.58 -20.93 2.38 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 124.585 1.088 . . . . 1.0 111.715 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -135.76 160.91 37.08 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.915 1.286 . . . . 1.0 107.537 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 -174.68 50.49 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 123.258 0.456 . . . . 1.0 113.08 -174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -127.65 125.27 39.83 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.952 -1.499 . . . . 1.0 106.952 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.45 119.96 74.74 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 104.296 -2.483 . . . . 1.0 104.296 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -69.9 158.58 56.3 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.175 1.917 . . . . 1.0 110.84 -175.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -61.25 -42.74 99.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 118.388 -0.815 . . . . 1.0 112.127 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.41 -49.33 60.89 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.98 -60.21 3.92 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.931 0.892 . . . . 1.0 108.997 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.9 mt -52.02 -41.41 62.21 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 123.749 0.82 . . . . 1.0 112.21 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -28.29 55.35 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.613 0.765 . . . . 1.0 110.201 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -76.19 -21.77 56.1 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.382 1.446 . . . . 1.0 109.497 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 30.5 mtp -84.13 164.63 19.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.515 1.526 . . . . 1.0 110.07 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 p-10 -120.46 -164.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 128.608 2.763 . . . . 1.0 107.974 174.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.67 88.97 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 1.0 112.694 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -73.21 -47.95 39.19 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.431 0.56 . . . . 1.0 110.517 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 64.3 m-20 -56.75 -41.91 78.39 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 118.685 -0.674 . . . . 1.0 109.861 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -62.22 -55.42 28.64 Favored 'General case' 0 C--O 1.214 -0.807 0 CA-C-O 116.678 -1.629 . . . . 1.0 109.722 176.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.6 m -49.11 -52.27 26.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 120.103 1.32 . . . . 1.0 112.076 -174.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.9 -48.7 77.84 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 119.938 -0.705 . . . . 1.0 112.639 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.41 -50.47 71.38 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.847 -0.597 . . . . 1.0 109.884 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.701 HD21 HD22 ' A' ' 68' ' ' LEU . 2.1 tm? -53.8 -51.34 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 128.168 2.587 . . . . 1.0 108.919 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.74 -39.17 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 119.601 1.092 . . . . 1.0 111.941 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -68.03 -49.79 59.29 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.789 -1.195 . . . . 1.0 110.314 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -66.72 -26.56 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 127.763 2.425 . . . . 1.0 110.805 -176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.55 -96.99 0.46 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 117.309 -1.329 . . . . 1.0 107.441 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -170.61 171.62 6.24 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.401 3.08 . . . . 1.0 106.998 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.95 -56.0 10.64 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.034 0.834 . . . . 1.0 109.338 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -59.62 -54.63 44.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.954 0.501 . . . . 1.0 109.923 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.13 -36.42 75.19 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 117.752 0.251 . . . . 1.0 110.378 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.92 -50.48 65.31 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.95 81.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.781 0.791 . . . . 1.0 111.012 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -56.02 -55.85 27.8 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.99 1.316 . . . . 1.0 108.999 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 HD21 ' A' ' 56' ' ' LEU . 4.2 tt -53.03 -53.1 55.12 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 127.406 2.282 . . . . 1.0 109.809 175.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.416 ' N ' HD23 ' A' ' 68' ' ' LEU . 91.1 m -58.86 -52.63 64.89 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.171 -0.678 . . . . 1.0 109.171 -174.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.18 70.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.138 0.881 . . . . 1.0 110.849 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -65.03 -55.32 19.63 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.094 0.957 . . . . 1.0 109.926 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.52 -44.14 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.909 0.883 . . . . 1.0 109.855 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HB3' HD22 ' A' ' 78' ' ' LEU . 55.6 mt -54.78 -53.22 58.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.746 0.818 . . . . 1.0 108.996 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -68.94 -27.63 65.92 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.262 1.025 . . . . 1.0 113.726 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.52 -40.2 93.78 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.697 1.599 . . . . 1.0 107.086 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.0 mtp -75.37 -9.44 58.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.679 0.792 . . . . 1.0 112.555 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.94 -7.26 27.43 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.38 1.943 . . . . 1.0 115.416 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.524 HD23 ' C ' ' A' ' 78' ' ' LEU . 1.2 tt -80.7 126.19 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.029 1.732 . . . . 1.0 109.814 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -114.33 -23.47 9.39 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.246 -0.909 . . . . 1.0 112.257 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 81' ' ' MET . 4.0 pm0 -64.53 -66.14 0.58 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.787 1.635 . . . . 1.0 112.395 -175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.613 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 8.9 ttp -65.15 -29.98 70.86 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 126.119 1.767 . . . . 1.0 110.241 175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -60.22 -50.33 74.07 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 121.534 1.97 . . . . 1.0 109.433 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.63 -53.97 34.74 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -59.94 -33.64 72.18 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 113.017 0.747 . . . . 1.0 113.017 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 69' ' ' THR . 12.5 tp -64.41 -49.3 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.545 1.138 . . . . 1.0 109.859 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.55 -53.26 60.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.75 -16.95 62.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.762 1.625 . . . . 1.0 113.555 -175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.81 -41.12 12.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.834 1.654 . . . . 1.0 108.729 174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 4' ' ' ALA . 31.3 m -67.84 -31.82 71.91 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.131 0.573 . . . . 1.0 112.047 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -161.58 105.78 1.27 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.482 1.913 . . . . 1.0 109.193 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.252 1.221 0 N-CA-C 104.898 -2.26 . . . . 1.0 104.898 174.097 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.21 -163.23 36.93 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.111 1.815 . . . . 1.0 109.074 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -50.04 -20.36 0.94 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 116.451 -1.738 . . . . 1.0 113.708 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.534 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -44.85 -52.44 8.56 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 120.298 1.408 . . . . 1.0 109.675 174.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -65.39 -53.27 45.76 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 118.618 -0.706 . . . . 1.0 110.691 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -57.92 -35.96 71.81 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 118.153 0.433 . . . . 1.0 110.996 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.01 -44.95 60.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.865 1.666 . . . . 1.0 110.703 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.1 mt -60.46 -51.23 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 105.811 -1.922 . . . . 1.0 105.811 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.31 -52.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.759 1.223 . . . . 1.0 110.382 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -58.03 -45.93 86.14 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.03 0.932 . . . . 1.0 110.278 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -57.34 12.99 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.33 -48.18 65.61 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.989 0.916 . . . . 1.0 112.695 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -56.29 -43.57 78.99 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.594 0.757 . . . . 1.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -76.04 -5.39 46.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 114.086 1.143 . . . . 1.0 114.086 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.83 152.66 24.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 120.735 1.607 . . . . 1.0 108.949 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -94.58 176.72 6.18 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.857 0.863 . . . . 1.0 110.827 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.05 70.9 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.219 1.008 . . . . 1.0 112.546 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -70.4 -34.12 72.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.968 0.804 . . . . 1.0 110.044 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.76 -53.96 42.83 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 108.398 -0.964 . . . . 1.0 108.398 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.3 mt -61.95 -39.98 93.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 119.245 0.929 . . . . 1.0 111.521 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -56.31 20.25 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 123.961 0.904 . . . . 1.0 108.812 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.41 -40.22 95.37 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 116.501 -1.714 . . . . 1.0 110.303 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 27' ' ' LEU . 66.3 t80 -56.04 -51.94 66.02 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 121.676 2.034 . . . . 1.0 110.022 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.47 -35.62 74.44 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.545 1.138 . . . . 1.0 111.042 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.39 -43.98 47.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.096 0.862 . . . . 1.0 109.946 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -61.47 -37.84 85.05 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.797 2.039 . . . . 1.0 110.58 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' A' ' 23' ' ' PHE . 22.6 mt -54.82 -29.83 55.74 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 125.1 1.36 . . . . 1.0 110.406 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 55.02 1.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.697 -1.594 . . . . 1.0 106.697 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 t -142.2 -63.61 0.43 Allowed 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.769 2.028 . . . . 1.0 106.786 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.3 113.76 10.62 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 106.014 -1.846 . . . . 1.0 106.014 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.33 113.16 3.52 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 N-CA-C 106.693 -2.079 . . . . 1.0 106.693 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.25 173.15 11.88 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.165 0.586 . . . . 1.0 110.708 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -73.37 162.06 29.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 122.97 1.367 . . . . 1.0 114.594 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -84.02 162.42 20.39 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.935 2.094 . . . . 1.0 105.361 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.73 -1.94 81.3 Favored Glycine 0 CA--C 1.534 1.245 0 O-C-N 120.976 -1.077 . . . . 1.0 110.457 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -140.66 174.38 10.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 130.475 3.51 . . . . 1.0 106.107 174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.14 -172.28 20.22 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.211 0.91 . . . . 1.0 112.835 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -140.1 125.96 19.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.404 1.102 . . . . 1.0 109.159 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -83.54 124.37 75.56 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -77.91 157.88 31.02 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.615 2.21 . . . . 1.0 111.634 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -29.36 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 115.267 1.58 . . . . 1.0 115.267 -174.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.37 67.57 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 120.182 1.356 . . . . 1.0 110.008 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.28 -52.19 62.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.177 -1.045 . . . . 1.0 108.177 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.79 -45.06 82.41 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.043 -0.979 . . . . 1.0 113.415 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.03 -38.78 90.0 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.276 1.398 . . . . 1.0 111.935 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -67.91 -26.18 65.85 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.145 0.795 . . . . 1.0 113.145 174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.3 mtp -85.6 148.53 25.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.028 0.931 . . . . 1.0 111.487 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -102.15 -164.47 1.09 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.281 1.832 . . . . 1.0 107.032 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.08 90.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.795 0.838 . . . . 1.0 112.479 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tt -71.44 -49.6 40.08 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.185 0.902 . . . . 1.0 109.71 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -54.46 -41.88 69.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.759 0.662 . . . . 1.0 109.588 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -61.09 2.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 116.762 -1.589 . . . . 1.0 109.035 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -45.92 -52.17 11.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.966 1.257 . . . . 1.0 111.767 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.02 -48.87 78.34 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -65.71 0.56 Allowed 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 HD22 ' A' ' 68' ' ' LEU . 1.6 tm? -51.49 -43.15 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 130.076 3.351 . . . . 1.0 110.008 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.92 -48.79 68.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 119.733 1.151 . . . . 1.0 111.522 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -68.52 -34.6 76.17 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.456 1.48 . . . . 1.0 111.712 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.25 -20.38 62.24 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.326 1.85 . . . . 1.0 110.64 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.48 -96.88 0.39 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -158.28 170.13 22.95 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.516 3.127 . . . . 1.0 105.565 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -55.17 28.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.652 -0.655 . . . . 1.0 109.253 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -69.94 -49.17 54.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.024 0.53 . . . . 1.0 110.431 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -61.23 -37.63 83.71 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 118.538 0.608 . . . . 1.0 110.378 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -49.56 77.22 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.121 -0.792 . . . . 1.0 111.121 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.85 73.96 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.744 -0.856 . . . . 1.0 111.725 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.12 -46.53 73.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.325 0.65 . . . . 1.0 109.462 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.641 HD22 HD21 ' A' ' 56' ' ' LEU . 2.4 tt -54.08 -53.29 55.17 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.8 2.04 . . . . 1.0 107.23 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -54.24 -54.76 35.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.478 -0.934 . . . . 1.0 108.478 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -34.06 70.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.912 0.778 . . . . 1.0 111.987 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -67.56 -54.5 19.39 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.431 1.014 . . . . 1.0 111.476 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 27' ' ' LEU . 91.9 t -55.04 -46.46 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.24 1.016 . . . . 1.0 108.814 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 78' ' ' LEU . 79.6 mt -56.98 -49.37 75.96 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.549 1.14 . . . . 1.0 109.318 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -61.07 -28.66 69.23 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.368 -1.457 . . . . 1.0 112.079 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.42 -40.85 81.08 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 120.765 1.62 . . . . 1.0 108.305 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.1 mtp -61.82 -23.29 66.14 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.889 0.876 . . . . 1.0 112.078 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.32 0.56 37.93 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.135 1.826 . . . . 1.0 112.626 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -73.85 126.21 29.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.849 1.659 . . . . 1.0 107.492 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -121.49 -36.06 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.845 0.458 . . . . 1.0 111.757 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 4.7 pm0 -62.27 -65.65 0.66 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.376 1.87 . . . . 1.0 110.057 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 78' ' ' LEU . 20.2 ttm -56.54 -38.07 71.37 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 116.767 -1.587 . . . . 1.0 110.344 174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.12 -44.51 87.77 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 121.948 2.158 . . . . 1.0 110.834 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.04 -47.42 85.68 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.455 -0.636 . . . . 1.0 111.696 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.16 -37.18 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.46 1.13 . . . . 1.0 111.199 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.13 -50.41 72.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.899 2.08 . . . . 1.0 109.569 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.3 -47.6 83.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.859 -0.793 . . . . 1.0 108.859 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.49 98.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.603 0.761 . . . . 1.0 112.798 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.23 -29.81 67.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.943 0.897 . . . . 1.0 110.26 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 4' ' ' ALA . 13.4 m -81.6 -28.9 33.54 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.34 0.518 . . . . 1.0 112.397 175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -160.89 117.0 2.25 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 123.404 1.573 . . . . 1.0 111.074 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 129.861 3.264 . . . . 1.0 103.08 174.357 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 106.736 -1.579 . . . . 1.0 106.736 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.52 -137.85 13.71 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 108.677 -1.769 . . . . 1.0 108.677 -145.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -36.96 -31.0 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 131.203 3.801 . . . . 1.0 116.519 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.41 ' HB2' HG23 ' A' ' 89' ' ' THR . . . -53.02 -52.6 57.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.023 0.829 . . . . 1.0 109.76 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -70.61 -40.01 73.44 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.695 -0.669 . . . . 1.0 110.257 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.91 -45.04 96.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 118.589 0.631 . . . . 1.0 109.822 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.06 77.79 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.911 0.884 . . . . 1.0 111.501 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.83 -49.1 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.53 -51.31 65.56 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.067 0.947 . . . . 1.0 110.283 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -54.73 -45.38 74.1 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.095 1.358 . . . . 1.0 109.242 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.33 16.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 123.325 0.65 . . . . 1.0 111.723 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.3 mm? -55.84 -34.95 65.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.691 0.678 . . . . 1.0 112.351 -179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.0 -44.23 69.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.198 0.999 . . . . 1.0 111.953 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -67.64 -17.68 64.69 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 123.801 0.84 . . . . 1.0 112.528 175.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 73' ' ' LEU . 23.5 mt -82.62 142.81 31.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 106.359 -1.719 . . . . 1.0 106.359 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.8 p -93.83 165.96 12.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.216 -1.401 . . . . 1.0 107.216 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.13 64.32 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.26 -47.93 46.4 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.18 0.992 . . . . 1.0 109.137 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.93 -42.27 85.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' LEU . 40.9 mt -60.66 -37.46 81.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 119.189 0.904 . . . . 1.0 110.469 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -57.71 -58.6 7.64 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.327 1.421 . . . . 1.0 109.505 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.12 -31.66 72.94 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 117.632 -1.175 . . . . 1.0 110.509 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.73 -54.55 29.72 Favored 'General case' 0 CA--C 1.522 -0.102 0 C-N-CA 125.762 1.625 . . . . 1.0 109.506 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -54.25 -33.66 59.01 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.012 1.325 . . . . 1.0 110.998 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.1 mt -80.1 -43.53 21.57 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 117.692 -1.147 . . . . 1.0 112.134 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.78 -35.7 77.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.564 1.529 . . . . 1.0 110.798 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.87 -18.69 14.08 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.884 0.874 . . . . 1.0 111.859 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -135.19 43.32 2.68 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 107.284 -1.376 . . . . 1.0 107.284 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -114.93 -3.22 12.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.826 1.25 . . . . 1.0 111.414 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.41 146.08 23.82 Favored Pre-proline 0 N--CA 1.443 -0.802 0 N-CA-C 105.489 -2.041 . . . . 1.0 105.489 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.06 174.88 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 N-CA-C 107.728 -1.682 . . . . 1.0 107.728 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.66 171.51 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.543 -0.91 . . . . 1.0 108.543 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -73.6 167.43 21.36 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.355 0.598 . . . . 1.0 109.481 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -86.9 153.5 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.61 13.52 70.01 Favored Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.726 -0.549 . . . . 1.0 111.726 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -141.48 170.85 14.94 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 126.874 2.069 . . . . 1.0 107.249 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.69 178.15 24.91 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -141.57 122.78 14.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 106.211 -1.774 . . . . 1.0 106.211 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -86.0 119.66 71.97 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 105.686 -1.968 . . . . 1.0 105.686 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.65 162.57 37.57 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.265 1.977 . . . . 1.0 111.325 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HE ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.99 -50.19 71.52 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.618 0.767 . . . . 1.0 111.936 -174.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -44.56 78.72 Favored Glycine 0 CA--C 1.536 1.399 0 CA-C-N 120.019 1.281 . . . . 1.0 112.568 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.17 74.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.8 0.84 . . . . 1.0 109.981 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.5 -32.3 68.68 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.318 1.047 . . . . 1.0 111.551 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HE ' ' A' ' 41' ' ' ARG . 9.2 mp -71.46 -42.54 68.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 117.618 -1.182 . . . . 1.0 110.578 175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -64.76 -31.02 72.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 120.353 1.433 . . . . 1.0 112.495 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.7 mtm -77.6 153.62 33.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.031 0.919 . . . . 1.0 111.818 176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -109.27 -163.53 0.87 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 128.535 2.734 . . . . 1.0 107.292 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.07 71.69 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.102 1.361 . . . . 1.0 113.639 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.29 -45.09 63.9 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.386 -0.968 . . . . 1.0 108.386 -175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -56.16 -47.76 77.61 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 123.816 0.846 . . . . 1.0 110.257 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -61.52 -53.56 54.8 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 116.774 -1.584 . . . . 1.0 109.381 175.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.0 m -47.23 -54.73 10.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 120.636 1.562 . . . . 1.0 110.94 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -59.91 -49.04 79.26 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 118.299 -0.858 . . . . 1.0 112.954 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -54.29 41.02 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.305 0.502 . . . . 1.0 110.589 -177.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 68' ' ' LEU . 2.6 tm? -58.72 -28.61 65.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.923 2.089 . . . . 1.0 108.642 -175.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.679 HG13 ' HA ' ' A' ' 62' ' ' GLU . 5.5 t -81.18 -58.46 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.385 0.993 . . . . 1.0 110.399 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -66.2 -31.36 72.15 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.509 1.3 . . . . 1.0 114.509 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -75.73 -13.91 60.32 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.577 1.551 . . . . 1.0 110.987 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.24 -96.21 0.48 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 117.621 -1.18 . . . . 1.0 109.182 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -158.24 156.98 31.7 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.622 2.769 . . . . 1.0 106.687 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 57' ' ' VAL . 3.2 mp0 -58.56 -26.85 64.02 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.247 0.832 . . . . 1.0 113.247 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 m -93.16 -48.46 6.46 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.057 0.844 . . . . 1.0 110.462 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.08 -36.15 67.79 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 119.219 0.918 . . . . 1.0 111.414 -174.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.85 -38.8 65.73 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.166 0.894 . . . . 1.0 112.898 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.03 66.55 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 120.924 -1.339 . . . . 1.0 112.04 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -55.22 35.17 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 106.313 -1.736 . . . . 1.0 106.313 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 HD21 ' A' ' 56' ' ' LEU . 8.9 tt -48.17 -56.96 6.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.491 1.116 . . . . 1.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.7 m -52.9 -56.6 14.65 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.494 0.718 . . . . 1.0 109.382 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.64 71.44 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.725 0.693 . . . . 1.0 111.669 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -66.94 -54.63 20.07 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.794 2.037 . . . . 1.0 110.319 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.14 -39.91 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.133 0.973 . . . . 1.0 109.002 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 HD13 ' A' ' 78' ' ' LEU . 58.7 mt -63.68 -43.0 97.94 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.98 -1.075 . . . . 1.0 110.739 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -59.34 -39.53 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.737 -0.602 . . . . 1.0 110.441 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -59.22 -42.58 91.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.658 0.783 . . . . 1.0 109.38 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.6 mmm -61.22 -18.45 58.35 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.982 0.734 . . . . 1.0 112.982 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.19 6.47 57.74 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.552 1.549 . . . . 1.0 112.589 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.626 HD13 HD22 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -82.21 126.28 31.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.282 -1.747 . . . . 1.0 106.282 174.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -122.68 -23.52 5.09 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.557 0.743 . . . . 1.0 112.549 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 81' ' ' MET . 3.0 pm0 -65.4 -65.92 0.61 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 1.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.5 ttp -61.28 -35.67 77.96 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 117.115 -1.421 . . . . 1.0 109.967 175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.5 -45.09 81.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 121.767 2.076 . . . . 1.0 110.24 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.27 53.19 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.194 0.902 . . . . 1.0 112.106 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -62.62 -42.75 99.77 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.702 0.801 . . . . 1.0 112.528 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 tp -59.16 -49.08 79.25 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 127.163 2.185 . . . . 1.0 109.905 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.53 -45.51 93.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.587 1.155 . . . . 1.0 109.85 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.89 95.02 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.445 1.098 . . . . 1.0 112.153 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.18 94.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.573 0.749 . . . . 1.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 4' ' ' ALA . 6.7 m -77.5 -7.88 56.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -81.45 74.76 8.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.215 1.406 . . . . 1.0 107.773 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 106.666 -1.605 . . . . 1.0 106.666 174.839 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttm . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 108.413 -0.958 . . . . 1.0 108.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.71 126.56 3.72 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 105.318 -3.113 . . . . 1.0 105.318 -164.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -51.85 -44.5 63.66 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.271 2.035 . . . . 1.0 114.343 -174.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.94 -53.81 36.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.993 0.901 . . . . 1.0 109.948 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -66.03 -47.15 75.39 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.815 0.846 . . . . 1.0 109.793 -175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -66.51 -31.76 72.69 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.194 0.998 . . . . 1.0 110.43 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.98 65.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.204 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.35 -54.06 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 107.155 -1.424 . . . . 1.0 107.155 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.17 -57.73 5.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 126.258 1.823 . . . . 1.0 110.227 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -57.67 -39.93 78.19 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.877 0.471 . . . . 1.0 110.039 -178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.24 75.81 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 121.667 -0.646 . . . . 1.0 111.975 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.1 mm? -62.75 -39.53 94.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.784 0.72 . . . . 1.0 109.198 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.66 -42.95 99.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.346 1.458 . . . . 1.0 110.639 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 -10.61 59.05 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.882 1.673 . . . . 1.0 113.18 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.77 169.72 14.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.41 1.459 . . . . 1.0 108.045 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.499 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 81.9 p -105.5 177.69 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.193 0.997 . . . . 1.0 110.293 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.18 74.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.484 -0.76 . . . . 1.0 110.895 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.34 -50.7 29.65 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 123.569 0.747 . . . . 1.0 110.58 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 16' ' ' THR . 6.1 mm-40 -64.64 -38.43 90.99 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.31 -49.06 78.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 120.391 -1.443 . . . . 1.0 109.218 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.15 -50.45 58.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.646 1.112 . . . . 1.0 110.389 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -59.46 -51.34 70.31 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 117.241 -1.362 . . . . 1.0 109.992 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -52.94 -52.16 58.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 121.006 1.73 . . . . 1.0 109.904 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -61.84 -39.0 90.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.05 1.34 . . . . 1.0 110.72 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -67.83 -48.98 64.67 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.71 0.804 . . . . 1.0 109.128 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 8.5 mmpt? -54.24 -42.08 69.46 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.22 1.408 . . . . 1.0 111.243 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 68' ' ' LEU . 19.7 mt -55.48 -37.44 67.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.561 0.948 . . . . 1.0 113.561 174.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.55 43.41 1.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.64 -1.245 . . . . 1.0 107.64 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -128.21 -70.13 0.7 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 105.124 -2.176 . . . . 1.0 105.124 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 p -73.07 120.16 79.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 105.703 -1.962 . . . . 1.0 105.703 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.17 131.71 25.87 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 N-CA-C 108.123 -1.53 . . . . 1.0 108.123 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HG ' ' H ' ' A' ' 33' ' ' ARG . 4.6 tp -83.31 172.65 12.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.612 -0.884 . . . . 1.0 108.612 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 92.6 mtt-85 -73.53 166.59 22.95 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.134 0.974 . . . . 1.0 111.257 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -83.55 165.63 18.92 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.034 0.933 . . . . 1.0 108.856 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.73 -7.42 9.17 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.98 1.276 . . . . 1.0 113.357 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -119.35 162.61 18.49 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 128.937 2.895 . . . . 1.0 106.125 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.5 -177.35 35.64 Favored Glycine 0 CA--C 1.521 0.44 0 CA-C-O 121.537 0.521 . . . . 1.0 112.077 -174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -140.25 124.57 17.8 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 124.917 1.287 . . . . 1.0 108.299 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -83.68 123.41 76.31 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 103.243 -2.873 . . . . 1.0 103.243 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -78.72 159.68 28.1 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.274 1.316 . . . . 1.0 110.55 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.73 68.46 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.06 0.944 . . . . 1.0 112.053 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.64 -48.35 85.19 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 119.662 1.119 . . . . 1.0 111.819 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.12 95.75 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.753 0.787 . . . . 1.0 109.254 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 mt -56.86 -46.53 81.72 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.391 1.076 . . . . 1.0 110.911 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.99 -34.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.007 1.276 . . . . 1.0 113.305 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -66.66 -29.76 69.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.483 1.492 . . . . 1.0 111.853 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.2 mtm -79.85 166.35 21.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.184 0.992 . . . . 1.0 112.063 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 2.9 p-10 -116.27 -161.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.331 2.253 . . . . 1.0 106.803 174.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.37 76.31 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.19 0.596 . . . . 1.0 111.981 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.81 -49.62 50.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.738 1.215 . . . . 1.0 110.23 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.3 m-20 -58.78 -44.18 90.62 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 117.899 -1.048 . . . . 1.0 109.792 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -59.75 -49.28 78.34 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 117.121 -1.419 . . . . 1.0 108.731 178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -51.75 -58.29 6.81 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 119.797 1.18 . . . . 1.0 110.821 -176.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -43.02 99.86 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -63.4 1.25 Allowed 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.886 HD21 HD22 ' A' ' 68' ' ' LEU . 2.3 tm? -50.39 -51.38 46.66 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 128.699 2.8 . . . . 1.0 109.509 -174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.71 -45.48 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 118.101 0.41 . . . . 1.0 111.079 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -78.04 -30.2 49.74 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.108 0.867 . . . . 1.0 111.733 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.11 -34.38 66.12 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 127.467 2.307 . . . . 1.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -110.86 -96.92 0.41 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.841 -0.8 . . . . 1.0 108.841 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.24 164.44 32.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 130.302 3.441 . . . . 1.0 104.801 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.64 -55.16 25.74 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.999 -1.482 . . . . 1.0 106.999 174.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 m -59.57 -58.16 9.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 128.435 2.694 . . . . 1.0 110.622 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -60.46 -35.26 75.43 Favored 'General case' 0 C--N 1.343 0.311 0 O-C-N 122.244 -0.285 . . . . 1.0 110.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.01 98.52 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.61 96.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.256 0.528 . . . . 1.0 110.887 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.1 -50.52 67.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.886 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 tt -49.97 -52.71 31.5 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 124.588 1.155 . . . . 1.0 109.288 176.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.8 m -59.51 -54.35 47.61 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.354 0.979 . . . . 1.0 111.782 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -61.2 -55.82 27.76 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.258 1.423 . . . . 1.0 110.917 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.82 -50.83 76.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.91 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.633 ' HB3' HD22 ' A' ' 78' ' ' LEU . 75.6 mt -52.97 -49.33 66.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.791 1.236 . . . . 1.0 110.01 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -59.12 -37.67 77.75 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 124.447 1.099 . . . . 1.0 112.102 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.29 -34.55 78.61 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 119.913 1.233 . . . . 1.0 110.849 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtp -65.91 -13.91 60.56 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.812 -0.555 . . . . 1.0 112.143 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -2.99 57.93 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.903 1.716 . . . . 1.0 113.113 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -73.74 126.93 31.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 128.563 2.745 . . . . 1.0 106.434 175.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -122.55 -28.13 4.28 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.655 0.613 . . . . 1.0 112.655 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 81' ' ' MET . 19.9 pm0 -63.35 -64.57 0.87 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.154 1.782 . . . . 1.0 109.553 -177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.596 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.1 ttp -57.35 -37.2 72.19 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.924 1.69 . . . . 1.0 111.158 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.94 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.653 2.024 . . . . 1.0 109.995 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.73 -42.19 99.73 Favored Glycine 0 CA--C 1.532 1.133 0 O-C-N 121.933 -0.48 . . . . 1.0 112.378 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.66 -40.93 79.95 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.211 -1.17 . . . . 1.0 111.392 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.98 -47.63 77.34 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 127.802 2.441 . . . . 1.0 109.146 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -57.38 -54.12 50.39 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -23.73 67.17 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.183 1.179 . . . . 1.0 114.183 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.54 52.67 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.127 -1.434 . . . . 1.0 107.127 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -56.93 -57.37 12.8 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.58 0.752 . . . . 1.0 110.89 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -156.15 109.34 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.908 2.483 . . . . 1.0 108.943 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.248 0.987 0 C-N-CA 125.23 1.412 . . . . 1.0 108.254 174.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 107.615 -1.254 . . . . 1.0 107.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.17 -133.94 50.6 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 114.578 0.591 . . . . 1.0 114.578 162.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -29.2 3.42 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 126.225 1.81 . . . . 1.0 113.978 -174.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.09 27.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.937 1.244 . . . . 1.0 110.272 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -74.3 -36.87 63.77 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.408 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.41 -50.92 72.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -38.81 72.95 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 117.105 -1.426 . . . . 1.0 112.433 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.655 ' O ' HD22 ' A' ' 12' ' ' LEU . 53.4 mt -63.52 -50.49 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 120.558 1.526 . . . . 1.0 107.957 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.5 -52.1 60.66 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.375 1.07 . . . . 1.0 110.241 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -56.96 -39.99 75.64 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 123.556 0.743 . . . . 1.0 110.356 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.77 53.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.997 -1.001 . . . . 1.0 109.7 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -63.46 -38.71 92.18 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 119.708 -0.797 . . . . 1.0 109.966 -175.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.82 -43.5 85.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.51 1.124 . . . . 1.0 110.517 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -75.29 -13.25 60.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.68 1.592 . . . . 1.0 113.381 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.54 158.15 22.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 121.024 1.738 . . . . 1.0 107.52 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.7 p -93.4 168.18 11.23 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.167 -1.049 . . . . 1.0 108.167 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -30.88 70.34 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.133 0.879 . . . . 1.0 110.975 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.93 -46.19 53.92 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.665 1.186 . . . . 1.0 110.895 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.05 -39.31 90.03 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.08 -44.03 97.98 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 120.747 -1.221 . . . . 1.0 110.504 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.3 -54.39 37.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.667 1.121 . . . . 1.0 108.776 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -67.19 -33.41 75.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 117.201 -1.38 . . . . 1.0 111.073 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -60.87 -55.09 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 120.696 1.589 . . . . 1.0 108.433 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -54.73 -36.61 64.94 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.381 1.472 . . . . 1.0 111.714 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.64 -51.73 15.75 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 123.629 0.771 . . . . 1.0 110.889 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 7.7 mmpt? -62.95 -29.6 70.92 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.274 1.03 . . . . 1.0 110.423 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 68' ' ' LEU . 24.0 mt -61.79 -19.9 63.02 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 125.697 1.599 . . . . 1.0 110.78 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -128.09 42.7 3.27 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.661 1.584 . . . . 1.0 108.881 176.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -123.83 -66.03 1.02 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 105.058 -2.201 . . . . 1.0 105.058 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.96 117.07 29.09 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.65 137.11 41.31 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 106.137 -2.293 . . . . 1.0 106.137 174.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -83.84 162.2 20.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.087 -1.079 . . . . 1.0 108.087 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -73.35 165.67 24.62 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 106.629 -1.619 . . . . 1.0 106.629 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -83.26 166.2 18.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.593 0.711 . . . . 1.0 109.507 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.27 0.23 67.93 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.594 1.092 . . . . 1.0 110.501 -174.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -144.35 171.32 14.49 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.542 2.337 . . . . 1.0 108.713 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -174.24 21.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.883 0.754 . . . . 1.0 113.111 -174.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.16 126.08 27.56 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 106.403 -1.703 . . . . 1.0 106.403 174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.4 mt -83.62 118.42 71.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 101.507 -3.516 . . . . 1.0 101.507 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -77.38 163.64 29.7 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.965 1.777 . . . . 1.0 112.888 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -56.45 -42.59 78.4 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.115 0.566 . . . . 1.0 112.167 -174.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.45 -46.53 92.96 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 119.193 0.906 . . . . 1.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.07 70.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.401 -0.962 . . . . 1.0 108.401 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.48 -31.49 69.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.116 0.966 . . . . 1.0 112.681 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.67 -35.36 52.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.981 1.264 . . . . 1.0 111.275 174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -64.36 -38.15 90.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.138 1.335 . . . . 1.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.8 mtp -72.5 165.72 24.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.822 2.049 . . . . 1.0 111.805 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 46.5 p30 -129.45 -160.48 1.04 Allowed 'General case' 0 C--O 1.234 0.287 0 C-N-CA 129.65 3.18 . . . . 1.0 107.861 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.281 0.845 . . . . 1.0 113.281 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.95 -53.72 29.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.597 -0.89 . . . . 1.0 108.597 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.557 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 16.2 m-20 -54.71 -48.64 72.24 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 124.084 0.954 . . . . 1.0 108.723 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -60.34 -54.04 50.4 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 116.564 -1.684 . . . . 1.0 109.92 178.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.3 m -52.12 -51.13 59.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 120.707 1.594 . . . . 1.0 110.829 -174.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -69.69 -43.26 72.83 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.789 -0.624 . . . . 1.0 110.677 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.1 -57.86 11.01 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 119.02 0.827 . . . . 1.0 109.542 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.8 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -53.64 -50.36 65.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 127.674 2.39 . . . . 1.0 108.654 -175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.07 -40.72 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 O-C-N 120.872 -1.143 . . . . 1.0 111.992 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -73.14 -47.83 40.72 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.535 1.062 . . . . 1.0 111.216 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.4 -19.4 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 129.647 3.179 . . . . 1.0 111.718 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -115.99 -96.84 0.46 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.978 -1.119 . . . . 1.0 107.978 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -163.71 171.62 15.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 131.222 3.809 . . . . 1.0 103.818 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.47 -62.09 1.52 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.669 -0.644 . . . . 1.0 110.47 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -68.14 -36.2 79.31 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.69 -0.631 . . . . 1.0 110.449 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -61.09 -32.66 72.32 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.85 -42.4 92.96 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.65 91.82 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 121.687 -0.89 . . . . 1.0 110.406 175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -58.21 -56.17 25.57 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.599 -0.889 . . . . 1.0 108.599 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD21 ' A' ' 56' ' ' LEU . 7.9 tt -52.05 -56.16 16.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.724 1.209 . . . . 1.0 109.689 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 m -55.12 -56.93 14.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.724 -0.843 . . . . 1.0 108.724 -176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.69 72.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.331 0.969 . . . . 1.0 112.195 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.13 -60.08 2.92 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 126.506 1.922 . . . . 1.0 110.239 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.15 -35.96 64.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.227 -0.897 . . . . 1.0 109.741 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD22 HD13 ' A' ' 78' ' ' LEU . 36.7 mt -62.63 -48.99 76.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.361 -0.837 . . . . 1.0 109.553 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -62.69 -27.19 69.08 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.126 -0.984 . . . . 1.0 111.317 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.7 -42.88 85.74 Favored 'General case' 0 C--O 1.23 0.052 0 CA-C-N 119.939 1.245 . . . . 1.0 109.08 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.7 mtp -58.08 -35.17 71.01 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.757 0.708 . . . . 1.0 110.322 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.23 -4.74 7.76 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 127.008 2.242 . . . . 1.0 112.251 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 73' ' ' LEU . 1.9 tt -74.54 107.22 6.53 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.867 1.667 . . . . 1.0 108.227 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.45 -30.66 11.31 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.342 0.867 . . . . 1.0 113.342 175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 81' ' ' MET . 6.2 pt-20 -62.5 -66.48 0.53 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.718 2.407 . . . . 1.0 113.839 -174.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.467 ' H ' ' HG3' ' A' ' 80' ' ' GLU 0.312 12.3 ttp -66.69 -31.93 72.91 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 116.873 -1.537 . . . . 1.0 109.536 176.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -61.21 -36.2 79.26 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 121.26 1.846 . . . . 1.0 109.547 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.15 -33.16 57.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.195 -0.941 . . . . 1.0 112.274 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.52 -44.8 77.5 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 119.175 1.487 . . . . 1.0 108.951 174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.2 tp -52.2 -47.01 65.83 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 128.003 2.521 . . . . 1.0 109.13 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -58.21 -61.11 2.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.142 0.977 . . . . 1.0 109.592 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -35.8 76.49 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.988 0.915 . . . . 1.0 113.242 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -56.5 13.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.894 0.878 . . . . 1.0 108.652 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -62.47 -31.99 72.8 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.207 0.447 . . . . 1.0 112.207 -175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -166.88 105.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 126.062 1.745 . . . . 1.0 107.741 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.096 -0.954 . . . . 1.0 108.992 -177.771 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 108.708 -0.849 . . . . 1.0 108.708 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.07 159.55 12.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 106.375 -2.69 . . . . 1.0 106.375 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -45.95 -48.36 16.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.404 2.102 . . . . 1.0 114.019 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.27 74.46 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.105 0.479 . . . . 1.0 109.746 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -64.77 -44.96 88.33 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.395 0.678 . . . . 1.0 110.203 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.13 -52.11 64.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.394 1.078 . . . . 1.0 109.934 174.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.57 91.13 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.321 -0.847 . . . . 1.0 111.936 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 mt -60.35 -52.98 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 107.6 -1.259 . . . . 1.0 107.6 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.3 -49.39 72.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 123.323 0.649 . . . . 1.0 109.749 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -56.79 -42.05 78.8 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.702 0.801 . . . . 1.0 111.31 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' ' 85' ' ' LEU . . . -66.96 -46.85 73.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 119.078 -0.487 . . . . 1.0 111.244 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.281 0.6 OUTLIER -70.36 -27.71 64.55 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.396 0.544 . . . . 1.0 111.282 -177.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.8 -43.6 83.48 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.428 1.491 . . . . 1.0 107.228 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -75.72 -11.97 60.1 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.024 1.12 . . . . 1.0 114.024 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.74 153.11 24.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 120.268 1.395 . . . . 1.0 107.44 174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 p -96.75 175.28 6.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.649 0.779 . . . . 1.0 110.007 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.03 -43.55 77.91 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.779 -0.575 . . . . 1.0 111.972 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -73.2 -38.85 65.97 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.525 -0.735 . . . . 1.0 111.189 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.65 -46.76 81.14 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.169 -1.048 . . . . 1.0 108.169 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.72 -33.28 71.42 Favored 'General case' 0 C--O 1.224 -0.264 0 O-C-N 120.849 -1.157 . . . . 1.0 111.024 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -61.2 -52.6 64.12 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 120.716 1.598 . . . . 1.0 109.285 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -61.89 -36.4 81.17 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 117.27 -1.348 . . . . 1.0 111.147 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.44 -53.76 52.34 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 120.327 1.421 . . . . 1.0 109.792 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -54.38 -37.76 65.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.601 1.16 . . . . 1.0 111.189 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.51 -52.32 16.24 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.591 -0.693 . . . . 1.0 109.516 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 21.3 mmtp -57.48 -35.3 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.429 1.092 . . . . 1.0 112.754 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' CD2' HD21 ' A' ' 68' ' ' LEU . 37.6 mt -54.96 -23.81 20.91 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.013 1.325 . . . . 1.0 111.961 174.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.86 23.84 4.62 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 106.997 -1.483 . . . . 1.0 106.997 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 43.8 t -99.42 -40.97 7.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 126.007 1.723 . . . . 1.0 106.453 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.29 123.39 71.54 Favored Pre-proline 0 N--CA 1.441 -0.907 0 N-CA-C 105.362 -2.088 . . . . 1.0 105.362 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.85 119.34 6.35 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 N-CA-C 104.983 -2.737 . . . . 1.0 104.983 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.88 165.9 19.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.568 -0.707 . . . . 1.0 109.793 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -72.99 162.42 29.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.661 1.184 . . . . 1.0 112.021 -174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -83.49 149.73 26.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.67 -1.15 . . . . 1.0 108.312 -177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.84 86.95 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-O 119.425 -0.653 . . . . 1.0 112.076 -175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -131.89 165.17 24.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.639 1.976 . . . . 1.0 108.42 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.74 170.91 50.81 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 122.168 0.871 . . . . 1.0 113.394 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -136.27 108.37 7.21 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.359 -2.46 . . . . 1.0 104.359 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' HE2' ' A' ' 55' ' ' LYS . 8.3 mt -83.73 118.11 70.52 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 107.513 -1.291 . . . . 1.0 107.513 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.81 157.23 58.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.183 1.922 . . . . 1.0 111.455 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -69.77 -40.78 75.87 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.024 -0.989 . . . . 1.0 112.697 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 -43.1 99.83 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 120.072 1.305 . . . . 1.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.91 71.58 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.33 -54.02 24.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 116.942 -1.504 . . . . 1.0 112.678 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.99 -42.9 69.52 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.85 1.205 . . . . 1.0 112.131 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 p -68.58 -26.66 65.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.365 0.984 . . . . 1.0 113.483 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 51.6 mtm -82.34 160.87 22.75 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 123.284 1.516 . . . . 1.0 113.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -112.26 -164.55 0.92 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 126.788 2.035 . . . . 1.0 107.233 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.5 88.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.122 0.569 . . . . 1.0 112.331 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.52 -52.35 22.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.606 0.639 . . . . 1.0 110.589 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -55.95 -42.75 76.66 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 117.753 -1.118 . . . . 1.0 111.264 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -57.73 11.33 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 116.115 -1.898 . . . . 1.0 108.436 174.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.9 m -45.52 -55.39 6.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 120.248 1.385 . . . . 1.0 111.215 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.38 -43.84 93.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.099 1.148 . . . . 1.0 114.099 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 39' ' ' ILE . 2.7 tmtm? -61.9 -52.29 64.7 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.086 1.312 . . . . 1.0 109.134 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 68' ' ' LEU . 2.4 tm? -63.29 -28.43 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 129.567 3.147 . . . . 1.0 111.14 -175.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 62' ' ' GLU . 25.5 t -89.0 -54.23 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.263 0.938 . . . . 1.0 109.993 175.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -58.42 -37.06 74.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.357 1.063 . . . . 1.0 112.646 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -76.36 -6.66 52.56 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.273 1.429 . . . . 1.0 113.357 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.53 -96.82 0.37 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.136 1.375 . . . . 1.0 109.815 -175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -167.61 169.13 12.19 Favored 'General case' 0 N--CA 1.47 0.526 1 C-N-CA 132.752 4.421 . . . . 1.0 106.118 175.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HA ' HG13 ' A' ' 57' ' ' VAL . 29.7 mp0 -65.06 -66.54 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.096 0.558 . . . . 1.0 110.895 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.4 m -63.42 -38.03 89.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.233 0.924 . . . . 1.0 110.701 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.27 -35.19 71.42 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 119.483 1.038 . . . . 1.0 109.942 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.87 -46.74 93.58 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.73 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.632 -0.923 . . . . 1.0 111.27 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -55.82 -61.57 2.28 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.577 1.151 . . . . 1.0 108.143 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 56' ' ' LEU . 7.2 tt -48.12 -52.59 19.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 125.754 1.622 . . . . 1.0 108.866 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.4 m -56.85 -57.18 13.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.054 -0.974 . . . . 1.0 108.512 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.46 70.25 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.189 1.359 . . . . 1.0 111.979 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.04 -48.4 53.1 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.083 1.753 . . . . 1.0 110.846 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.51 -38.1 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 125.372 1.469 . . . . 1.0 109.585 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 78' ' ' LEU . 33.2 mt -59.71 -45.95 90.57 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.544 -1.28 . . . . 1.0 107.544 174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -58.9 -39.89 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.39 -0.819 . . . . 1.0 110.862 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -62.59 -32.53 73.55 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.432 1.015 . . . . 1.0 110.904 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mtp -67.81 -29.15 68.25 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.256 -1.528 . . . . 1.0 110.257 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.42 0.46 12.54 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 127.035 2.255 . . . . 1.0 112.665 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 78' ' ' LEU . 3.7 tt -83.07 120.08 25.3 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.061 1.344 . . . . 1.0 108.913 -175.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -114.61 -33.21 5.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.891 1.276 . . . . 1.0 112.978 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.8 -66.12 0.59 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.729 1.212 . . . . 1.0 111.247 -174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.476 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.258 4.5 ttp -62.02 -29.33 70.2 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 117.01 -1.471 . . . . 1.0 110.93 174.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.62 94.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 121.912 2.142 . . . . 1.0 109.96 174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.47 -40.98 96.56 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.321 -0.71 . . . . 1.0 111.604 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.53 -39.77 89.07 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.03 0.915 . . . . 1.0 110.161 175.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 11' ' ' ALA . 14.2 tp -63.27 -47.09 83.81 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.729 2.012 . . . . 1.0 110.262 -175.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.77 -56.8 16.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.711 -1.218 . . . . 1.0 107.711 174.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.79 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.704 0.631 . . . . 1.0 112.704 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.14 75.02 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.381 1.472 . . . . 1.0 110.456 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.6 m -79.64 -31.94 41.61 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.363 0.529 . . . . 1.0 112.404 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -166.33 112.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.566 1.546 . . . . 1.0 111.201 -174.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 126.246 1.818 . . . . 1.0 108.507 174.654 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 110.259 -0.275 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.7 142.85 13.82 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 107.415 -2.274 . . . . 1.0 107.415 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.93 -46.88 16.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.787 1.293 . . . . 1.0 113.854 -174.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.11 5.12 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 123.717 0.636 . . . . 1.0 110.739 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -63.06 -41.87 99.56 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 122.609 0.364 . . . . 1.0 110.428 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -63.26 -40.16 96.63 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.905 1.282 . . . . 1.0 109.633 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.95 60.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.601 1.16 . . . . 1.0 111.782 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.46 ' O ' HD22 ' A' ' 12' ' ' LEU . 27.6 mt -60.73 -47.05 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.655 -1.239 . . . . 1.0 107.655 175.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.05 -58.78 5.52 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.141 1.376 . . . . 1.0 109.204 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.93 -36.03 76.18 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.42 0.688 . . . . 1.0 112.492 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.96 -51.52 67.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.567 0.747 . . . . 1.0 109.858 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.45 -42.37 91.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.701 0.682 . . . . 1.0 109.615 -179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.37 -43.39 88.42 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.275 1.43 . . . . 1.0 110.41 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -67.45 -16.91 64.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.999 -1.0 . . . . 1.0 112.929 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.69 152.64 24.63 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 121.43 1.923 . . . . 1.0 108.753 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.9 p -93.83 174.01 7.39 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.533 -0.729 . . . . 1.0 109.37 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.05 74.73 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.485 -0.76 . . . . 1.0 111.634 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.12 -29.25 57.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.012 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.97 -45.05 71.68 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 108.148 -1.056 . . . . 1.0 108.148 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.03 -34.93 75.62 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.895 0.878 . . . . 1.0 109.9 175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -57.92 10.37 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 119.935 1.243 . . . . 1.0 108.845 175.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -60.75 -34.35 74.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 117.429 -1.272 . . . . 1.0 110.199 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 27' ' ' LEU . 25.7 t80 -62.15 -55.65 26.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.376 1.444 . . . . 1.0 109.534 175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 27' ' ' LEU . 77.3 mttt -55.04 -31.47 61.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.997 1.319 . . . . 1.0 111.754 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.33 -49.87 11.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 119.337 0.971 . . . . 1.0 110.047 174.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -57.76 -37.66 74.03 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.5 1.12 . . . . 1.0 111.771 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.9 mt -53.82 -23.86 13.65 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.173 1.789 . . . . 1.0 111.657 174.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.04 33.37 4.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.281 1.833 . . . . 1.0 109.337 179.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -107.93 -72.29 0.73 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 105.19 -2.152 . . . . 1.0 105.19 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.94 131.79 95.3 Favored Pre-proline 0 N--CA 1.448 -0.562 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.43 150.52 52.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 N-CA-C 108.139 -1.523 . . . . 1.0 108.139 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.56 168.11 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.573 -1.269 . . . . 1.0 107.573 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -73.95 164.75 26.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.594 -1.262 . . . . 1.0 107.594 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 166.02 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.33 -10.28 74.53 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -126.71 160.89 29.47 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 128.311 2.644 . . . . 1.0 106.977 175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.39 -176.28 41.82 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 122.298 0.944 . . . . 1.0 115.098 -174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -137.54 142.59 41.39 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 125.115 1.366 . . . . 1.0 108.818 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.65 116.91 33.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 106.067 -1.827 . . . . 1.0 106.067 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.72 159.81 47.74 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.432 2.088 . . . . 1.0 112.14 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.59 -27.96 69.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 113.195 0.813 . . . . 1.0 113.195 -174.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.93 -46.96 90.19 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 120.307 1.412 . . . . 1.0 111.275 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.82 79.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.7 mt -57.52 -42.14 82.25 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-O 118.293 -0.86 . . . . 1.0 112.061 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HD3' ' A' ' 24' ' ' LYS . 2.6 mm? -66.86 -36.53 82.54 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.024 -0.988 . . . . 1.0 112.636 174.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -61.3 -38.01 85.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.853 1.206 . . . . 1.0 111.373 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.5 mtm -74.56 163.63 27.51 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 122.626 1.203 . . . . 1.0 112.043 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 7.3 p-10 -122.07 -160.63 0.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 128.364 2.666 . . . . 1.0 106.623 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.2 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 1.0 112.231 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.95 -51.1 69.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.671 0.669 . . . . 1.0 109.236 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 47.0 m-20 -62.51 -46.9 86.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 117.52 -1.229 . . . . 1.0 108.615 -175.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.648 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -57.72 -50.19 74.03 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 116.271 -1.823 . . . . 1.0 109.025 178.076 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.6 m -52.18 -59.0 4.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 119.657 1.117 . . . . 1.0 109.583 -175.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.46 -36.16 82.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.58 0.585 . . . . 1.0 112.58 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.5 -59.02 4.81 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 68' ' ' LEU . 3.4 tm? -54.28 -50.52 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 127.888 2.475 . . . . 1.0 107.982 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 62' ' ' GLU . 39.8 t -62.33 -46.45 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.453 -0.78 . . . . 1.0 112.338 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -74.56 -37.37 63.0 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.431 1.014 . . . . 1.0 110.866 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -71.21 -33.14 69.64 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.88 1.672 . . . . 1.0 110.829 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.34 -96.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.278 -1.749 . . . . 1.0 106.278 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -160.8 171.23 19.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 131.427 3.891 . . . . 1.0 105.108 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.1 mp0 -66.84 -54.28 24.07 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.082 -1.012 . . . . 1.0 108.375 174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.2 m -60.86 -53.17 60.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.223 1.409 . . . . 1.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.32 -24.11 67.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.714 0.688 . . . . 1.0 110.989 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.54 74.99 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.231 -1.148 . . . . 1.0 110.231 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.93 95.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.083 0.942 . . . . 1.0 110.247 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.25 -53.35 59.21 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.939 1.296 . . . . 1.0 110.285 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD21 ' A' ' 56' ' ' LEU . 7.5 tt -53.78 -56.49 17.06 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 124.366 1.066 . . . . 1.0 108.591 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 m -53.29 -57.12 11.66 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.227 -0.892 . . . . 1.0 109.054 -174.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.74 73.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.709 1.141 . . . . 1.0 111.575 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.22 -58.89 4.83 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 119.256 0.934 . . . . 1.0 111.033 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.76 -38.44 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.072 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 37.9 mt -61.65 -43.94 97.91 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.767 -1.208 . . . . 1.0 109.496 174.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttm105 -59.62 -37.28 78.19 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.281 -0.887 . . . . 1.0 110.127 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.09 -34.82 77.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.396 0.998 . . . . 1.0 109.785 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.6 mmm -64.98 -7.55 12.16 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.931 -1.106 . . . . 1.0 112.094 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.0 -13.36 66.16 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.866 1.698 . . . . 1.0 113.265 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 ' C ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -73.27 126.89 31.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 131.361 3.864 . . . . 1.0 107.313 -175.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -26.32 5.6 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.318 -0.863 . . . . 1.0 113.083 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' A' ' 81' ' ' MET . 1.4 pm0 -69.03 -65.97 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.231 1.013 . . . . 1.0 109.372 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.488 ' HB3' HD21 ' A' ' 78' ' ' LEU . 32.3 ttm -53.59 -42.53 67.72 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 117.702 -1.142 . . . . 1.0 111.055 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -57.95 -47.65 82.29 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.592 1.542 . . . . 1.0 110.815 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.77 94.01 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 123.308 0.48 . . . . 1.0 112.715 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.45 -31.84 67.64 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.592 -0.946 . . . . 1.0 110.596 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.3 tp -65.22 -48.07 74.63 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.304 1.842 . . . . 1.0 110.054 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.72 -53.31 56.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.091 1.356 . . . . 1.0 108.574 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.7 93.74 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.337 1.055 . . . . 1.0 111.929 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.75 74.12 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.811 1.244 . . . . 1.0 111.084 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -83.85 -8.13 59.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.869 0.468 . . . . 1.0 111.974 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.8 34.96 0.35 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.274 1.83 . . . . 1.0 111.248 -177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 N-CA-C 107.028 -1.471 . . . . 1.0 107.028 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttp . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 120.385 0.136 . . . . 1.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.83 117.98 1.11 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.172 -1.971 . . . . 1.0 108.172 -168.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -54.74 -31.88 59.05 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 117.507 -1.235 . . . . 1.0 113.644 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.573 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -60.79 -55.03 37.96 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 120.539 1.518 . . . . 1.0 110.049 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -59.71 -48.51 81.39 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -60.5 -39.27 87.13 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 123.191 0.596 . . . . 1.0 110.302 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.0 73.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.54 0.736 . . . . 1.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 mt -62.6 -51.63 69.76 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.46 -44.6 94.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.309 0.643 . . . . 1.0 109.529 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.18 -42.69 91.44 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.03 0.932 . . . . 1.0 108.991 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.59 -55.5 30.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.752 -0.642 . . . . 1.0 110.42 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' CG ' HD22 ' A' ' 52' ' ' LEU . 3.1 mm? -50.04 -43.26 50.87 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.555 1.142 . . . . 1.0 112.996 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.16 -44.0 93.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.307 1.043 . . . . 1.0 110.374 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.05 -11.57 60.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.418 1.087 . . . . 1.0 112.941 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -84.17 150.56 25.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.44 -2.059 . . . . 1.0 105.44 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 p -93.52 174.06 7.38 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.57 68.16 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.111 -0.993 . . . . 1.0 112.042 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.7 -46.95 28.29 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.973 0.806 . . . . 1.0 110.686 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.73 -40.38 87.84 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.661 1.119 . . . . 1.0 109.581 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.56 -40.41 96.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.638 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -55.22 -54.67 40.43 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.481 1.491 . . . . 1.0 110.489 175.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.05 -38.08 89.65 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.281 -0.866 . . . . 1.0 109.176 -175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 27' ' ' LEU . 30.9 t80 -60.45 -57.15 13.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.202 1.001 . . . . 1.0 109.627 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -54.94 -31.71 60.66 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.442 1.497 . . . . 1.0 111.75 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.6 mt -78.31 -51.82 9.55 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 117.915 -1.041 . . . . 1.0 110.595 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -58.19 -30.5 66.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.239 1.836 . . . . 1.0 111.2 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 23' ' ' PHE . 26.1 mt -60.6 -19.45 57.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.001 -1.476 . . . . 1.0 111.051 174.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -147.46 23.51 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.549 1.522 . . . . 1.0 113.211 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -106.11 -4.32 20.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.384 1.074 . . . . 1.0 109.991 175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.23 149.96 39.89 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.211 1.804 . . . . 1.0 106.698 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -77.28 -179.85 5.83 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.196 2.597 . . . . 1.0 111.747 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -116.62 179.47 4.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.672 1.589 . . . . 1.0 108.397 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -73.68 170.84 14.42 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.051 -1.463 . . . . 1.0 107.051 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.06 162.65 21.31 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 -175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.86 -4.42 85.69 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 -174.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -139.59 176.4 8.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.731 2.412 . . . . 1.0 107.578 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.94 -163.98 9.98 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 124.494 1.045 . . . . 1.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -134.55 146.72 49.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.822 -1.547 . . . . 1.0 106.822 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -84.16 136.07 41.23 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 105.097 -2.186 . . . . 1.0 105.097 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 91.1 Cg_endo -66.84 151.32 82.55 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.684 2.256 . . . . 1.0 110.629 -175.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -68.22 -27.08 66.06 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.826 -1.171 . . . . 1.0 112.751 -174.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.52 62.68 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 109.218 -1.553 . . . . 1.0 109.218 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.11 73.13 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.31 1.044 . . . . 1.0 109.329 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.63 -40.52 83.58 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.958 -0.544 . . . . 1.0 112.285 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -42.06 97.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 118.109 -0.948 . . . . 1.0 110.888 174.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -69.47 -24.3 63.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.744 1.156 . . . . 1.0 113.338 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.1 mtp -86.14 154.72 21.15 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.78 1.232 . . . . 1.0 111.19 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.04 -167.05 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.818 2.047 . . . . 1.0 108.583 174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.43 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.455 1.902 . . . . 1.0 113.054 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.39 -44.9 67.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -55.92 -49.34 73.73 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 118.92 -0.562 . . . . 1.0 110.333 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -58.76 -55.57 33.45 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 116.075 -1.917 . . . . 1.0 109.256 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -46.81 -56.38 6.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 120.159 1.345 . . . . 1.0 109.963 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.37 -34.72 78.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.542 0.571 . . . . 1.0 112.542 -175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -69.05 -57.53 5.3 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.76 0.709 . . . . 1.0 109.367 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.639 HD21 HD22 ' A' ' 68' ' ' LEU . 2.2 tm? -60.07 -18.03 43.84 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 129.514 3.126 . . . . 1.0 110.885 -175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.584 HG13 ' HA ' ' A' ' 62' ' ' GLU . 6.9 t -91.68 -63.27 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 107.96 -1.126 . . . . 1.0 107.96 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 t -61.78 -35.86 79.4 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -70.12 -14.48 62.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.296 1.438 . . . . 1.0 110.916 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -125.4 -96.9 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.79 1.236 . . . . 1.0 108.152 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -161.83 159.68 27.22 Favored 'General case' 0 CA--C 1.533 0.312 1 C-N-CA 131.986 4.114 . . . . 1.0 104.748 174.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 57' ' ' VAL . 2.0 mp0 -58.12 -54.82 42.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.235 0.925 . . . . 1.0 109.174 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -47.87 83.98 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.276 1.431 . . . . 1.0 109.688 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -68.86 -27.58 65.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.807 -0.616 . . . . 1.0 111.293 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.97 98.46 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 109.391 -1.484 . . . . 1.0 109.391 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.09 65.89 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.614 -0.933 . . . . 1.0 111.842 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -54.59 19.58 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.698 0.799 . . . . 1.0 109.061 175.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.639 HD22 HD21 ' A' ' 56' ' ' LEU . 9.6 tt -52.25 -54.85 26.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.683 1.193 . . . . 1.0 109.284 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 m -51.1 -56.59 11.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -33.79 73.62 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.13 0.877 . . . . 1.0 112.572 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -70.28 -53.43 16.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.528 1.531 . . . . 1.0 111.429 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.75 -35.42 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 108.828 -0.805 . . . . 1.0 108.828 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.898 HD22 HD13 ' A' ' 78' ' ' LEU . 32.1 mt -62.81 -44.65 95.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.439 -1.413 . . . . 1.0 108.914 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.78 -34.25 74.2 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.206 -0.934 . . . . 1.0 110.749 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.31 -40.03 92.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.275 1.03 . . . . 1.0 108.33 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.2 mtp -70.48 -11.57 61.01 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.769 -0.582 . . . . 1.0 112.216 174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.46 3.14 67.16 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.192 1.377 . . . . 1.0 113.735 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.898 HD13 HD22 ' A' ' 73' ' ' LEU . 3.7 tt -74.03 126.46 30.55 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.237 -1.394 . . . . 1.0 107.237 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -127.69 -25.72 3.08 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.148 0.796 . . . . 1.0 113.148 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.511 ' HG2' ' H ' ' A' ' 81' ' ' MET . 8.0 pm0 -64.79 -65.8 0.63 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.231 2.213 . . . . 1.0 109.511 -175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.666 ' HB3' HD21 ' A' ' 78' ' ' LEU . 2.0 tpp -56.05 -35.0 66.44 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.716 2.006 . . . . 1.0 109.622 174.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.25 85.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.985 1.721 . . . . 1.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.55 99.24 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 109.793 -1.323 . . . . 1.0 109.793 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -65.65 -28.44 69.1 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 119.033 -0.508 . . . . 1.0 111.87 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.14 -44.48 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.853 1.661 . . . . 1.0 108.827 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -58.5 -50.12 74.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.488 -0.93 . . . . 1.0 108.488 174.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.89 75.06 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.997 0.919 . . . . 1.0 111.042 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.96 -24.82 68.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.909 1.283 . . . . 1.0 111.578 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' HA ' ' A' ' 4' ' ' ALA . 2.6 m -98.01 -5.32 34.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.872 0.76 . . . . 1.0 111.533 174.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -79.38 41.56 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.637 1.975 . . . . 1.0 110.79 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.254 1.326 0 N-CA-C 105.816 -1.92 . . . . 1.0 105.816 177.281 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.78 -173.46 45.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.221 -1.551 . . . . 1.0 109.221 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' CZ ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -52.12 -18.04 1.31 Allowed 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 125.671 1.588 . . . . 1.0 113.512 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -47.7 -58.18 4.61 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 120.145 1.339 . . . . 1.0 109.594 174.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -64.28 -48.0 77.37 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.739 -175.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.21 -47.09 87.43 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 124.16 0.913 . . . . 1.0 109.738 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.63 -38.44 91.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 117.613 -1.184 . . . . 1.0 111.023 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.15 -53.92 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 106.622 -1.621 . . . . 1.0 106.622 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.83 -47.39 84.99 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.968 0.907 . . . . 1.0 108.997 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -56.08 -44.3 78.84 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.33 1.852 . . . . 1.0 109.233 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -52.96 42.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.153 0.981 . . . . 1.0 111.027 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' HD22 ' A' ' 52' ' ' LEU . 4.5 mm? -54.45 -43.3 71.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 118.737 0.699 . . . . 1.0 110.528 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.85 -42.93 99.65 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.758 1.223 . . . . 1.0 111.659 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -66.16 -18.49 65.38 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.103 -0.951 . . . . 1.0 112.967 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -83.1 157.15 22.94 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 119.975 1.261 . . . . 1.0 108.181 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 p -93.49 166.46 12.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.153 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.65 66.96 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.851 -0.531 . . . . 1.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.8 -45.54 67.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.68 1.192 . . . . 1.0 109.854 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 -43.57 88.15 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 121.165 -0.959 . . . . 1.0 109.556 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -59.27 -42.32 90.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.638 0.775 . . . . 1.0 110.643 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.18 -55.01 36.05 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.15 -43.52 95.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.015 -1.469 . . . . 1.0 111.2 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.47 -54.58 45.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 120.899 1.681 . . . . 1.0 109.999 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -59.1 -32.01 69.43 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.596 1.158 . . . . 1.0 110.844 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -81.46 -35.64 30.32 Favored 'General case' 0 C--O 1.228 -0.06 0 CA-C-O 117.348 -1.311 . . . . 1.0 111.666 174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -60.26 -39.56 87.24 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.654 1.57 . . . . 1.0 109.783 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD21 HD21 ' A' ' 68' ' ' LEU . 19.2 mt -54.63 -18.37 4.44 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.798 1.239 . . . . 1.0 112.753 174.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -137.7 40.83 2.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 106.651 -1.611 . . . . 1.0 106.651 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -123.06 -70.56 0.77 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 102.548 -3.13 . . . . 1.0 102.548 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.25 119.39 75.49 Favored Pre-proline 0 N--CA 1.446 -0.628 0 N-CA-C 102.808 -3.034 . . . . 1.0 102.808 174.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.35 152.59 80.63 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 N-CA-C 107.659 -1.708 . . . . 1.0 107.659 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.59 164.9 12.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.495 -0.928 . . . . 1.0 108.495 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -73.6 174.31 8.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 122.382 1.087 . . . . 1.0 110.889 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -83.71 163.77 20.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.381 -1.341 . . . . 1.0 107.381 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.45 8.84 84.39 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.407 -0.663 . . . . 1.0 112.332 -177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -146.37 170.38 16.93 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 127.387 2.275 . . . . 1.0 107.976 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.33 177.96 36.71 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.114 0.864 . . . . 1.0 111.402 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -138.4 125.19 21.02 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.176 -1.416 . . . . 1.0 107.176 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.1 mt -83.99 126.68 69.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 N-CA-C 105.836 -1.913 . . . . 1.0 105.836 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.28 155.43 64.23 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.613 1.542 . . . . 1.0 111.334 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -28.88 69.44 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.953 -0.467 . . . . 1.0 111.597 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.93 -48.3 81.82 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.74 -50.73 72.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.99 -1.115 . . . . 1.0 107.99 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.02 -43.41 73.67 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 117.977 -1.011 . . . . 1.0 113.009 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.04 -30.67 62.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.87 1.214 . . . . 1.0 112.661 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.3 p -70.31 -17.54 63.08 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.955 1.252 . . . . 1.0 110.355 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 45.0 mtp -92.75 163.15 13.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.147 1.779 . . . . 1.0 111.067 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.65 -164.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 128.619 2.767 . . . . 1.0 108.445 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.83 84.3 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.11 0.964 . . . . 1.0 112.756 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -71.89 -53.1 14.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.798 -1.186 . . . . 1.0 107.798 -175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.99 -41.24 82.6 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.032 -0.985 . . . . 1.0 111.903 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -57.23 -58.09 9.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 116.779 -1.582 . . . . 1.0 108.089 174.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -51.78 42.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 119.675 1.125 . . . . 1.0 111.108 -175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.5 -52.2 65.65 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.137 0.273 . . . . 1.0 111.027 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.92 -61.06 2.86 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.383 0.673 . . . . 1.0 109.73 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.82 -49.89 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 129.32 3.048 . . . . 1.0 109.424 -175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG13 ' HA ' ' A' ' 62' ' ' GLU . 49.2 t -66.9 -43.64 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.132 0.878 . . . . 1.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.2 t -66.33 -55.09 17.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.434 1.015 . . . . 1.0 110.65 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.11 -28.45 69.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 128.217 2.607 . . . . 1.0 112.069 -175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.11 -96.59 0.33 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-O 117.704 -1.141 . . . . 1.0 108.155 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -160.49 163.5 32.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 128.655 2.782 . . . . 1.0 107.454 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 57' ' ' VAL . 63.4 mt-10 -67.08 -10.56 51.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.759 1.624 . . . . 1.0 113.161 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.7 m -111.39 -53.05 2.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.058 1.343 . . . . 1.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.57 -31.32 69.33 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.331 1.052 . . . . 1.0 111.003 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -47.16 90.59 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.393 0.997 . . . . 1.0 112.269 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.21 78.35 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 117.747 0.774 . . . . 1.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.77 -53.13 59.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.189 0.996 . . . . 1.0 109.544 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.834 HD22 HD21 ' A' ' 56' ' ' LEU . 5.8 tt -50.81 -53.33 32.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 126.081 1.752 . . . . 1.0 108.998 174.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.9 m -57.75 -52.37 65.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.393 -0.965 . . . . 1.0 108.393 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.48 70.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.734 -0.651 . . . . 1.0 112.194 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -70.01 -54.83 11.46 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.635 1.574 . . . . 1.0 111.315 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.17 -48.55 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 114.93 -1.032 . . . . 1.0 108.686 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 78' ' ' LEU . 67.9 mt -55.83 -46.72 78.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.785 0.834 . . . . 1.0 109.817 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -54.94 -45.29 74.82 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.505 -0.747 . . . . 1.0 111.051 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.93 -35.33 74.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.141 0.976 . . . . 1.0 110.588 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -66.2 -10.78 44.92 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.945 -1.097 . . . . 1.0 113.339 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.76 -6.2 62.41 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 126.027 1.775 . . . . 1.0 113.612 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.615 HD13 HD22 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -74.18 127.06 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 130.002 3.321 . . . . 1.0 109.234 178.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.43 -26.48 5.8 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.237 1.015 . . . . 1.0 113.493 175.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 81' ' ' MET . 9.1 pm0 -62.91 -66.27 0.56 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.731 2.012 . . . . 1.0 111.824 -174.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.565 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 1.5 ttp -62.09 -39.66 93.22 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 125.088 1.355 . . . . 1.0 109.565 179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.438 ' H ' HD21 ' A' ' 78' ' ' LEU . . . -54.36 -45.14 72.7 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.496 1.498 . . . . 1.0 111.733 175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.3 37.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -58.2 -39.82 79.97 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.069 0.948 . . . . 1.0 111.996 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.95 -51.05 69.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 128.811 2.844 . . . . 1.0 109.813 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -61.07 -48.12 83.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.936 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.48 -25.28 67.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.622 0.601 . . . . 1.0 112.622 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.35 57.17 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.415 HG23 ' CA ' ' A' ' 4' ' ' ALA . 44.4 m -66.46 -45.32 80.12 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.377 0.671 . . . . 1.0 112.269 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -150.51 88.98 1.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.966 2.107 . . . . 1.0 108.187 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HG2' ' H ' ' A' ' 2' ' ' GLY . 15.7 ttp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.511 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 142.57 -167.23 26.27 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.819 -1.712 . . . . 1.0 108.819 178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -49.34 -37.77 25.75 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.644 -1.17 . . . . 1.0 112.764 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.489 ' CA ' HG23 ' A' ' 89' ' ' THR . . . -63.27 -55.34 25.62 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.873 0.76 . . . . 1.0 110.485 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG2' HG21 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -60.29 -43.09 96.56 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 118.469 -0.777 . . . . 1.0 109.371 178.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -60.26 -42.49 95.48 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 123.77 0.669 . . . . 1.0 110.075 -174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.87 -43.14 22.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.97 1.308 . . . . 1.0 112.819 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.616 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.8 mt -63.87 -45.25 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 107.274 -1.38 . . . . 1.0 107.274 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.12 -56.67 18.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -54.49 -37.07 64.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 118.513 -0.756 . . . . 1.0 111.468 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 81' ' ' MET . . . -60.7 -52.94 62.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.699 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD21 ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -62.76 -40.6 97.76 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.331 0.968 . . . . 1.0 109.947 -176.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.49 -43.87 89.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.253 0.621 . . . . 1.0 109.693 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -75.73 -7.76 55.16 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.103 1.361 . . . . 1.0 113.552 176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.59 166.98 16.7 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 120.509 1.504 . . . . 1.0 107.567 174.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -119.6 174.58 6.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.411 1.084 . . . . 1.0 109.719 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.33 67.48 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.367 0.667 . . . . 1.0 111.596 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.44 -37.47 86.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.838 0.455 . . . . 1.0 110.535 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -48.35 57.02 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.354 -0.841 . . . . 1.0 109.512 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.6 -38.56 88.04 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 120.835 -1.166 . . . . 1.0 109.958 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -54.62 -58.32 7.99 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.881 -1.155 . . . . 1.0 107.881 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -60.52 -43.96 96.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 117.743 -1.122 . . . . 1.0 109.95 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -54.73 -55.82 25.87 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 120.06 1.3 . . . . 1.0 109.502 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.61 -28.53 69.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.945 0.898 . . . . 1.0 111.877 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.7 mt -77.07 -49.96 14.15 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 118.235 -0.888 . . . . 1.0 109.587 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -57.17 -37.99 72.91 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.069 1.304 . . . . 1.0 110.588 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.59 -11.57 3.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 126.134 1.774 . . . . 1.0 112.289 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -141.18 40.83 1.78 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.834 -1.543 . . . . 1.0 106.834 174.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -114.37 -27.84 7.44 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.781 1.232 . . . . 1.0 111.314 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.81 131.28 23.73 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 106.848 -1.538 . . . . 1.0 106.848 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -61.75 137.39 68.01 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 N-CA-C 108.035 -1.563 . . . . 1.0 108.035 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -84.47 174.41 10.07 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -73.32 162.33 29.47 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.746 0.784 . . . . 1.0 109.867 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.52 147.81 27.58 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.253 -1.758 . . . . 1.0 106.253 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.64 0.52 60.71 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -137.3 159.98 40.37 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 128.121 2.568 . . . . 1.0 107.505 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.79 177.17 44.82 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.486 -0.759 . . . . 1.0 113.561 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -123.38 113.38 18.74 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.663 1.585 . . . . 1.0 110.136 174.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 mt -90.69 118.73 68.88 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 105.049 -2.204 . . . . 1.0 105.049 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -84.75 161.69 12.22 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.26 1.973 . . . . 1.0 112.305 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.593 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -59.51 -45.19 92.43 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 125.305 1.442 . . . . 1.0 113.716 -174.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.21 97.85 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 119.291 0.951 . . . . 1.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -51.44 69.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.416 -0.957 . . . . 1.0 108.416 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.91 -41.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.03 -31.76 64.66 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 117.986 -1.007 . . . . 1.0 111.837 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 p -65.4 -36.59 84.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 120.084 1.311 . . . . 1.0 109.681 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.8 mtp -73.44 165.78 24.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.125 1.77 . . . . 1.0 109.026 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.415 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 3.6 p-10 -123.32 -158.86 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.845 2.058 . . . . 1.0 108.213 175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.56 20.33 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.841 1.256 . . . . 1.0 112.51 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.42 -45.32 80.28 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.233 0.924 . . . . 1.0 109.989 -175.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 62.2 m-20 -58.85 -41.28 86.61 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 118.065 -0.969 . . . . 1.0 111.757 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.631 ' CD2' HD21 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.12 -57.04 14.16 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 116.569 -1.682 . . . . 1.0 108.602 174.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -47.52 -53.05 15.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 119.323 0.965 . . . . 1.0 110.289 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -32.56 63.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.708 0.633 . . . . 1.0 112.708 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -61.22 2.56 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.746 -1.576 . . . . 1.0 106.746 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 HD22 ' A' ' 68' ' ' LEU . 2.7 tm? -51.7 -47.42 63.92 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 129.698 3.199 . . . . 1.0 108.539 -175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.409 HG21 ' HG2' ' A' ' 5' ' ' ARG . 20.8 t -63.38 -54.48 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.287 -0.883 . . . . 1.0 111.968 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -68.13 -39.26 82.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.894 1.225 . . . . 1.0 110.793 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -73.34 -17.94 61.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.231 1.412 . . . . 1.0 111.503 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.22 -96.82 0.45 Allowed 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -163.33 162.5 25.11 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.746 2.418 . . . . 1.0 107.31 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -69.68 -14.26 62.71 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.767 0.712 . . . . 1.0 110.509 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.4 m -95.64 -64.28 1.07 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 120.35 -1.469 . . . . 1.0 110.069 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -57.62 -28.51 63.73 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 118.52 0.6 . . . . 1.0 111.421 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.79 41.32 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.398 0.999 . . . . 1.0 112.151 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -33.23 75.29 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.297 -1.12 . . . . 1.0 111.013 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.32 -48.94 75.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.695 0.798 . . . . 1.0 109.3 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.698 HD22 HD21 ' A' ' 56' ' ' LEU . 3.5 tt -55.46 -55.05 36.19 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.227 1.811 . . . . 1.0 107.754 174.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 8' ' ' ILE . 36.9 m -52.63 -56.63 14.02 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.71 73.2 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.761 0.71 . . . . 1.0 112.159 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -66.4 -57.64 6.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.133 0.879 . . . . 1.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.63 -34.32 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.283 1.033 . . . . 1.0 109.417 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.923 HD22 HD13 ' A' ' 78' ' ' LEU . 29.6 mt -61.69 -47.13 86.72 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 174.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -63.85 -28.45 69.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 117.99 -1.005 . . . . 1.0 111.438 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.15 -32.71 74.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.298 1.408 . . . . 1.0 108.826 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 73' ' ' LEU . 70.1 mtp -67.09 -34.66 78.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.271 -0.893 . . . . 1.0 109.547 174.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 0.5 18.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 128.066 2.746 . . . . 1.0 112.263 -175.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.923 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.29 117.59 16.26 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.492 1.517 . . . . 1.0 107.56 175.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -117.96 -30.17 5.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.034 0.533 . . . . 1.0 112.103 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.43 -66.03 0.6 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.962 1.305 . . . . 1.0 110.665 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.501 ' HB3' HD21 ' A' ' 78' ' ' LEU 0.278 4.7 ttp -61.83 -31.26 71.49 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 116.509 -1.71 . . . . 1.0 110.658 174.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.98 -41.89 88.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 122.835 2.562 . . . . 1.0 110.982 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.3 88.14 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.808 0.718 . . . . 1.0 111.536 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -58.81 -47.36 85.08 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 117.844 0.822 . . . . 1.0 110.723 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -47.17 84.52 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 128.429 2.692 . . . . 1.0 110.744 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.76 -49.53 70.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.98 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -21.25 66.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.303 0.853 . . . . 1.0 113.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.37 -52.32 8.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.846 -1.539 . . . . 1.0 106.846 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.489 HG23 ' CA ' ' A' ' 4' ' ' ALA . 9.5 m -60.86 -32.07 71.5 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.735 0.643 . . . . 1.0 112.735 -176.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -164.31 99.69 0.83 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.611 1.964 . . . . 1.0 108.237 174.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.098 0.559 . . . . 1.0 110.528 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.56 165.03 14.11 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 107.855 -2.098 . . . . 1.0 107.855 -166.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -50.15 -35.38 25.77 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.021 1.91 . . . . 1.0 115.002 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.02 4.15 Favored 'General case' 0 C--O 1.228 -0.068 0 CA-C-O 121.734 0.778 . . . . 1.0 109.173 174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.68 -48.66 80.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.122 0.969 . . . . 1.0 110.28 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -60.25 -42.13 94.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.552 1.141 . . . . 1.0 109.758 -174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.79 71.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -56.69 -53.29 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 107.136 -1.431 . . . . 1.0 107.136 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.72 -52.16 64.85 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.006 0.922 . . . . 1.0 110.158 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -61.15 -39.9 91.81 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.968 0.507 . . . . 1.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.59 83.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.317 0.647 . . . . 1.0 110.701 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -34.39 76.51 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.175 0.443 . . . . 1.0 111.032 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -61.27 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.476 1.11 . . . . 1.0 109.076 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.86 -13.62 62.53 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.138 0.975 . . . . 1.0 113.259 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.88 151.41 25.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 120.692 1.587 . . . . 1.0 107.884 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -93.47 179.62 5.33 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.375 0.67 . . . . 1.0 109.408 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -45.55 71.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.964 -0.541 . . . . 1.0 112.086 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.73 -36.39 59.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.748 0.704 . . . . 1.0 109.734 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.5 -48.22 80.51 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 108.638 -0.875 . . . . 1.0 108.638 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.8 -43.69 97.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 121.275 -0.891 . . . . 1.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -55.2 -52.07 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.124 0.97 . . . . 1.0 110.353 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -60.98 -43.61 98.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.891 -1.052 . . . . 1.0 109.847 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 27' ' ' LEU . 71.3 t80 -58.83 -53.49 57.77 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.241 1.382 . . . . 1.0 109.528 176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -59.23 -28.43 66.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.581 1.552 . . . . 1.0 111.214 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.93 -49.03 12.47 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-O 117.859 -1.067 . . . . 1.0 109.246 174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -36.22 70.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.895 1.225 . . . . 1.0 112.81 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 68' ' ' LEU . 25.6 mt -53.88 -26.5 25.1 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.627 1.171 . . . . 1.0 111.879 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -127.72 42.0 3.4 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.668 1.187 . . . . 1.0 108.724 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.3 t -118.0 -74.3 0.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.071 -2.196 . . . . 1.0 105.071 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.44 124.18 74.12 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -71.45 125.34 11.16 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.144 1.896 . . . . 1.0 108.841 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' H ' ' HD3' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -83.61 178.36 8.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.361 -0.978 . . . . 1.0 108.361 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -73.37 162.34 29.44 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.709 -0.619 . . . . 1.0 110.117 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -84.14 161.7 20.52 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.428 -1.323 . . . . 1.0 107.428 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 -7.37 28.7 Favored Glycine 0 CA--C 1.535 1.299 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -125.08 159.54 31.16 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 131.356 3.862 . . . . 1.0 102.646 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.44 -173.58 17.6 Favored Glycine 0 N--CA 1.466 0.685 0 O-C-N 121.078 -1.014 . . . . 1.0 111.25 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 32' ' ' LEU . 34.0 mtm180 -134.74 138.15 44.1 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.207 -1.172 . . . . 1.0 107.96 174.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.91 121.43 75.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 104.202 -2.518 . . . . 1.0 104.202 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.74 156.46 60.74 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.123 1.216 . . . . 1.0 110.042 -175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.622 ' H ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.58 -38.75 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.81 1.244 . . . . 1.0 114.224 -174.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.42 -44.51 96.66 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 120.055 1.298 . . . . 1.0 110.616 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.06 75.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.116 -1.068 . . . . 1.0 108.116 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.77 -43.38 90.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 117.97 -1.014 . . . . 1.0 113.202 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.63 -30.7 69.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.109 1.322 . . . . 1.0 112.881 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 p -74.51 -21.7 59.42 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.685 1.129 . . . . 1.0 111.007 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.5 mtp -85.33 151.22 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.943 1.697 . . . . 1.0 110.431 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.36 -158.34 0.67 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 126.71 2.004 . . . . 1.0 107.796 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.32 -41.33 66.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.243 1.017 . . . . 1.0 111.539 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 tt -68.75 -52.69 27.78 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.176 0.898 . . . . 1.0 109.727 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.11 -48.66 64.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 118.203 -0.904 . . . . 1.0 109.45 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.75 -62.36 1.7 Allowed 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 116.953 -1.498 . . . . 1.0 109.971 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -47.01 -52.31 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.378 0.99 . . . . 1.0 111.889 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -68.12 -41.78 81.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 119.386 -0.34 . . . . 1.0 110.477 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -63.44 1.27 Allowed 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.463 0.705 . . . . 1.0 109.456 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD21 HD22 ' A' ' 68' ' ' LEU . 2.0 tm? -49.14 -48.04 45.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.416 3.086 . . . . 1.0 109.371 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.13 -54.47 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 119.174 0.897 . . . . 1.0 110.753 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -61.81 -32.64 72.96 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.618 1.099 . . . . 1.0 112.082 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -75.86 -21.12 57.53 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.75 2.42 . . . . 1.0 112.073 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -122.25 -97.17 0.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 118.153 -0.927 . . . . 1.0 108.792 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -164.99 166.37 19.4 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 131.092 3.757 . . . . 1.0 105.432 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.74 -52.31 64.79 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -60.42 -57.24 13.6 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.067 1.347 . . . . 1.0 109.627 -175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.59 -34.79 78.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.916 0.887 . . . . 1.0 110.522 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.15 -50.83 57.78 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.4 -1.08 . . . . 1.0 110.4 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.9 92.71 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.994 -0.709 . . . . 1.0 111.044 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.7 -52.52 64.75 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.232 0.613 . . . . 1.0 110.205 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.791 HD22 HD21 ' A' ' 56' ' ' LEU . 6.2 tt -51.09 -52.03 47.6 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 126.045 1.738 . . . . 1.0 109.044 175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.4 m -56.29 -53.0 62.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.556 -0.905 . . . . 1.0 108.556 -174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.728 1.149 . . . . 1.0 111.773 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -59.2 -52.72 64.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.933 1.242 . . . . 1.0 111.015 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.9 -35.82 73.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.802 1.641 . . . . 1.0 110.015 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD22 ' CD1' ' A' ' 78' ' ' LEU . 52.2 mt -63.37 -50.64 69.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.057 -1.46 . . . . 1.0 107.057 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.2 ttp-105 -59.71 -30.8 69.05 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 120.514 -1.366 . . . . 1.0 111.252 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.44 -40.83 97.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.914 1.286 . . . . 1.0 109.526 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.49 -6.99 22.14 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.319 0.648 . . . . 1.0 110.863 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.16 11.04 70.37 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.882 1.706 . . . . 1.0 110.138 -174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' CD1' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -97.24 70.02 2.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.391 1.876 . . . . 1.0 109.165 -174.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -71.93 -31.17 66.08 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.591 1.156 . . . . 1.0 112.97 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.87 -51.41 64.68 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.669 0.788 . . . . 1.0 111.268 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 tpp -57.82 -50.95 71.55 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.628 1.171 . . . . 1.0 109.123 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.66 66.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.571 0.749 . . . . 1.0 111.2 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.36 -63.65 4.83 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 124.603 1.097 . . . . 1.0 111.392 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.98 -35.61 81.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.399 0.6 . . . . 1.0 112.441 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.75 -50.95 70.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 125.296 1.438 . . . . 1.0 110.2 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.98 -54.22 49.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 117.085 -1.436 . . . . 1.0 107.863 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.56 65.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.085 1.312 . . . . 1.0 113.103 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.46 62.71 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.12 -0.988 . . . . 1.0 108.47 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m -68.55 -47.56 66.53 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -154.87 103.48 2.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 129.605 3.162 . . . . 1.0 109.096 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.304 1.041 . . . . 1.0 109.225 174.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mmt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.42 -152.0 20.95 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 165.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -49.82 -26.41 3.95 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.053 1.341 . . . . 1.0 114.113 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.91 -58.18 8.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.714 1.245 . . . . 1.0 109.15 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -66.88 -44.02 81.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.119 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.77 -29.54 70.52 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.37 0.418 . . . . 1.0 110.82 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.9 48.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.461 1.104 . . . . 1.0 110.116 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.6 mt -59.37 -46.74 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.754 -1.202 . . . . 1.0 107.754 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.78 -55.92 26.61 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.832 1.253 . . . . 1.0 109.61 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -60.39 -37.58 81.23 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 123.082 0.553 . . . . 1.0 112.031 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -60.35 -62.27 1.99 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.87 -42.98 63.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.167 0.987 . . . . 1.0 112.259 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.49 -48.43 80.81 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.669 1.188 . . . . 1.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -76.18 -7.32 54.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.228 1.011 . . . . 1.0 113.256 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.37 150.85 25.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.856 -1.905 . . . . 1.0 105.856 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.6 p -93.32 167.88 11.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.73 69.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.353 -0.842 . . . . 1.0 111.974 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.08 -44.16 66.28 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.183 0.993 . . . . 1.0 110.864 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -59.06 -48.28 82.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.845 -1.169 . . . . 1.0 107.845 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.52 -41.38 97.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.254 0.622 . . . . 1.0 110.964 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -57.32 -55.05 39.77 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 119.371 0.987 . . . . 1.0 109.897 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -54.69 -45.03 73.9 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 117.582 -1.199 . . . . 1.0 109.733 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.67 -53.61 55.33 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 120.419 1.463 . . . . 1.0 109.295 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -55.83 -36.66 67.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.968 1.307 . . . . 1.0 111.195 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.81 -51.1 14.93 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 118.948 0.794 . . . . 1.0 110.593 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -62.37 -33.49 74.84 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 119.444 1.02 . . . . 1.0 110.664 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 68' ' ' LEU . 23.3 mt -55.54 -21.5 17.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.32 1.448 . . . . 1.0 111.138 174.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -131.67 27.06 4.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.955 0.902 . . . . 1.0 108.897 -178.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -105.43 -70.22 0.79 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 105.581 -2.007 . . . . 1.0 105.581 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.19 126.17 85.55 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 106.88 -1.526 . . . . 1.0 106.88 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.99 129.95 21.86 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 N-CA-C 108.184 -1.506 . . . . 1.0 108.184 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.22 165.19 19.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 -176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -73.8 151.47 40.57 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -83.84 166.03 18.28 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 111.031 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.49 -3.02 59.28 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.606 2.05 . . . . 1.0 109.632 -174.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -133.42 166.49 22.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.595 1.958 . . . . 1.0 109.574 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.09 174.44 47.5 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-O 121.48 0.489 . . . . 1.0 112.009 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -131.05 119.24 21.72 Favored 'General case' 0 CA--C 1.521 -0.142 0 O-C-N 121.202 -1.175 . . . . 1.0 110.643 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.7 mt -83.73 119.45 73.66 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 104.282 -2.488 . . . . 1.0 104.282 174.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -73.8 162.93 38.37 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.486 2.124 . . . . 1.0 110.71 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.617 ' H ' HD12 ' A' ' 28' ' ' LEU . 1.1 tmt_? -64.28 -43.05 95.97 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.894 0.878 . . . . 1.0 111.34 -174.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.66 95.42 Favored Glycine 0 CA--C 1.53 1.002 0 CA-C-N 119.67 1.123 . . . . 1.0 111.908 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.34 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -55.55 -36.63 67.01 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.442 -0.789 . . . . 1.0 112.049 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.23 -37.6 75.02 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.688 -1.148 . . . . 1.0 112.289 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 p -71.2 -23.71 62.08 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.294 1.406 . . . . 1.0 112.031 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.3 mtp -81.42 165.91 20.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.577 1.151 . . . . 1.0 109.214 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -126.37 -159.07 0.89 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.744 2.018 . . . . 1.0 107.542 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.89 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.778 1.231 . . . . 1.0 112.695 175.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 tp -68.39 -56.38 8.68 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.303 0.641 . . . . 1.0 109.433 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.91 -43.3 69.6 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.647 -1.168 . . . . 1.0 111.66 174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -59.53 5.24 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.25 -1.834 . . . . 1.0 109.882 175.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 83.5 m -48.88 -49.44 39.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 121.102 1.774 . . . . 1.0 111.733 -175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -60.21 -51.87 67.74 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.137 0.575 . . . . 1.0 109.921 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -63.05 -65.74 0.64 Allowed 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -49.41 -41.4 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 128.785 2.834 . . . . 1.0 110.292 -175.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.63 -57.17 9.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 120.513 1.506 . . . . 1.0 110.166 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -64.97 -32.36 74.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.462 1.028 . . . . 1.0 113.129 -174.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -75.81 -18.43 59.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 127.707 2.403 . . . . 1.0 111.642 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -123.8 -96.2 0.46 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.99 -1.005 . . . . 1.0 108.875 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -159.54 165.6 32.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 128.078 2.551 . . . . 1.0 108.196 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -63.34 -11.9 25.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.751 2.82 . . . . 1.0 114.018 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -119.88 -49.48 2.32 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.653 1.115 . . . . 1.0 109.071 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -53.93 -36.59 62.93 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.639 0.776 . . . . 1.0 110.592 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.28 -51.32 58.28 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.592 0.633 . . . . 1.0 111.997 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.33 82.17 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.904 0.852 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.26 -51.63 68.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.907 0.883 . . . . 1.0 108.893 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 HD21 ' A' ' 56' ' ' LEU . 3.9 tt -54.13 -54.06 44.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 126.255 1.822 . . . . 1.0 108.822 174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.4 m -54.48 -54.0 46.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.703 -0.851 . . . . 1.0 108.703 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.11 81.82 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.165 0.893 . . . . 1.0 111.845 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.13 -60.52 3.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.075 1.35 . . . . 1.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.4 -38.32 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.051 1.34 . . . . 1.0 109.304 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 78' ' ' LEU . 40.3 mt -61.28 -47.55 85.48 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.952 -1.092 . . . . 1.0 109.792 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -66.45 -23.14 66.23 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 120.973 -1.079 . . . . 1.0 112.087 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.67 -33.59 68.97 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.469 1.108 . . . . 1.0 108.454 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.8 mtp -71.58 -30.44 65.84 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.333 -0.854 . . . . 1.0 110.691 174.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.7 -9.88 5.78 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.084 1.802 . . . . 1.0 114.49 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 73' ' ' LEU . 2.6 tt -74.33 126.5 30.8 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 127.641 2.376 . . . . 1.0 110.329 -175.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -121.48 -32.93 3.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 117.674 -1.155 . . . . 1.0 113.712 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.254 0.6 OUTLIER -65.84 -55.22 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 120.822 1.646 . . . . 1.0 111.667 -175.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.616 ' HB3' HD21 ' A' ' 78' ' ' LEU . 21.5 ttm -62.22 -37.89 87.09 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 116.914 -1.517 . . . . 1.0 109.666 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' H ' ' CD2' ' A' ' 78' ' ' LEU . . . -56.03 -43.19 77.56 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 121.764 2.074 . . . . 1.0 110.772 175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.3 -52.06 47.19 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 118.954 -0.914 . . . . 1.0 111.848 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -54.28 -48.24 71.46 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.921 0.888 . . . . 1.0 112.188 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.65 -55.65 31.78 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.984 2.514 . . . . 1.0 110.452 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.01 -39.79 87.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 118.041 -0.98 . . . . 1.0 109.523 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.02 0.827 . . . . 1.0 112.125 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.03 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 121.391 -0.818 . . . . 1.0 109.716 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 m -69.51 -41.99 75.31 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 113.67 0.989 . . . . 1.0 113.67 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -152.62 100.36 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 129.462 3.105 . . . . 1.0 108.916 -174.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 110.274 -0.269 . . . . 1.0 110.274 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.05 -134.08 50.41 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 116.427 1.331 . . . . 1.0 116.427 149.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -42.42 -44.3 3.94 Favored 'General case' 0 CA--C 1.514 -0.432 0 C-N-CA 128.131 2.573 . . . . 1.0 114.227 -174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.725 ' HA ' HG23 ' A' ' 89' ' ' THR . . . -56.38 -54.1 49.51 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.714 0.768 . . . . 1.0 110.086 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -67.39 -44.1 79.71 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.053 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.56 -38.91 89.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 118.661 -0.685 . . . . 1.0 110.376 -175.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.7 -51.43 59.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.729 1.211 . . . . 1.0 111.284 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 12' ' ' LEU . 32.0 mt -59.11 -44.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.02 -49.49 75.66 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.131 1.372 . . . . 1.0 110.907 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -53.76 -50.68 65.5 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 108.076 -1.083 . . . . 1.0 108.076 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.44 -51.11 70.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 118.774 -0.631 . . . . 1.0 111.347 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.66 -45.81 92.73 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 118.362 0.528 . . . . 1.0 110.039 -175.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -58.16 -43.53 87.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.127 0.971 . . . . 1.0 110.204 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -66.58 -14.43 62.36 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.17 -0.919 . . . . 1.0 113.248 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.36 170.08 14.93 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 121.037 1.744 . . . . 1.0 107.33 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -116.27 171.36 7.87 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.012 0.925 . . . . 1.0 108.932 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.01 66.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.326 0.966 . . . . 1.0 112.502 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.55 -42.3 59.06 Favored 'General case' 0 C--O 1.23 0.049 0 O-C-N 121.474 -0.766 . . . . 1.0 110.987 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.33 -42.05 84.21 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.06 -36.53 83.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 117.951 -1.023 . . . . 1.0 109.5 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.95 -52.75 64.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 121.033 1.742 . . . . 1.0 109.24 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -59.96 -43.3 95.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.919 -1.039 . . . . 1.0 109.141 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -60.42 -53.46 57.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.813 1.188 . . . . 1.0 109.765 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -55.83 -35.76 66.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.253 1.421 . . . . 1.0 111.687 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.9 -52.84 10.23 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 118.884 0.766 . . . . 1.0 109.208 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 27.6 mmtt -51.38 -45.18 62.37 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 125.081 1.353 . . . . 1.0 111.672 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 mt -48.88 -29.29 4.52 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.999 2.119 . . . . 1.0 112.511 175.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -131.28 24.87 4.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.192 1.397 . . . . 1.0 110.957 -175.099 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 17.5 t -105.55 -58.43 1.9 Allowed 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 103.971 -2.603 . . . . 1.0 103.971 174.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.32 133.94 95.81 Favored Pre-proline 0 N--CA 1.441 -0.89 0 N-CA-C 107.449 -1.315 . . . . 1.0 107.449 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.33 172.38 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 N-CA-C 107.345 -1.829 . . . . 1.0 107.345 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -133.25 168.24 18.92 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.957 -1.089 . . . . 1.0 108.445 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.62 167.54 21.57 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.38 0.991 . . . . 1.0 109.668 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -83.78 161.55 20.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 -174.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.48 67.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.849 -0.532 . . . . 1.0 112.298 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -117.36 145.4 44.08 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.527 -2.397 . . . . 1.0 104.527 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.27 -178.92 52.29 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-O 122.441 1.023 . . . . 1.0 114.677 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -134.36 106.93 7.33 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 106.757 -1.571 . . . . 1.0 106.757 174.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -83.32 112.86 42.38 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 102.274 -3.232 . . . . 1.0 102.274 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -69.78 161.95 43.96 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 121.609 1.54 . . . . 1.0 109.991 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.4 ttt180 -63.89 -34.53 78.16 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.139 -0.934 . . . . 1.0 112.602 -174.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.95 -46.78 93.88 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.901 1.228 . . . . 1.0 110.918 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.31 82.12 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.385 0.674 . . . . 1.0 109.455 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.09 -39.87 75.86 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 118.091 -0.957 . . . . 1.0 112.123 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.12 -41.71 85.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 117.605 -1.188 . . . . 1.0 112.377 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 p -60.5 -35.72 76.63 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.37 1.441 . . . . 1.0 111.731 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.8 mtp -75.83 160.83 29.55 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.867 1.267 . . . . 1.0 110.215 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 47.6 p30 -119.74 -157.07 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.655 1.982 . . . . 1.0 107.935 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.14 68.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.828 1.251 . . . . 1.0 112.538 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.24 -47.56 64.35 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.78 1.173 . . . . 1.0 109.149 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 48' ' ' ASP . 8.8 m-20 -55.85 -42.89 76.49 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 117.25 -1.357 . . . . 1.0 111.589 174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -57.9 -59.17 5.65 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 116.73 -1.605 . . . . 1.0 107.639 174.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -47.22 -56.7 6.2 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.271 0.941 . . . . 1.0 110.65 -174.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.4 -37.0 82.43 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 115.105 1.52 . . . . 1.0 115.105 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -60.89 2.95 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 174.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 HD22 ' A' ' 68' ' ' LEU . 2.9 tm? -51.6 -50.59 59.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 129.44 3.096 . . . . 1.0 108.779 -175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.21 -42.94 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 121.524 -0.735 . . . . 1.0 112.211 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.7 t -74.95 -44.0 50.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.486 1.039 . . . . 1.0 112.181 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -74.98 -18.64 60.34 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 128.9 2.88 . . . . 1.0 112.401 -174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -119.13 -96.91 0.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 105.499 -2.037 . . . . 1.0 105.499 174.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -160.79 171.76 18.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 129.488 3.115 . . . . 1.0 104.572 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.07 -63.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.4 m -68.09 -43.47 78.44 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.368 -0.825 . . . . 1.0 111.42 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -64.03 -28.08 69.56 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.703 1.138 . . . . 1.0 110.02 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.87 -49.04 79.75 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.003 -1.239 . . . . 1.0 110.003 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.84 93.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.017 0.909 . . . . 1.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.99 -51.86 67.9 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.668 1.187 . . . . 1.0 109.904 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -53.05 -55.12 26.23 Favored 'General case' 0 CA--C 1.512 -0.498 0 C-N-CA 126.369 1.868 . . . . 1.0 108.361 175.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.6 m -54.96 -55.4 31.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.46 71.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.039 0.836 . . . . 1.0 111.823 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -71.2 -54.56 10.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.935 1.294 . . . . 1.0 111.112 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.53 -46.46 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 124.924 1.29 . . . . 1.0 108.703 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HD22 ' A' ' 78' ' ' LEU . 43.9 mt -55.58 -48.66 74.44 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.132 -1.062 . . . . 1.0 108.132 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.99 -36.28 74.62 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.819 -1.176 . . . . 1.0 111.941 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.48 -27.97 69.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.171 1.35 . . . . 1.0 110.249 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.46 -8.17 44.46 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.955 -1.09 . . . . 1.0 110.399 174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.86 53.69 5.71 Favored Glycine 0 C--N 1.339 0.704 0 C-N-CA 126.088 1.804 . . . . 1.0 109.299 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 81' ' ' MET . 0.2 OUTLIER -139.86 126.56 20.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.765 2.426 . . . . 1.0 105.259 -174.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -121.14 -23.02 5.9 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.144 -0.972 . . . . 1.0 112.303 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.61 -65.93 0.58 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 123.683 0.793 . . . . 1.0 111.29 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.547 ' HB3' HD21 ' A' ' 78' ' ' LEU . 3.2 tpp -59.64 -46.96 87.46 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.979 1.312 . . . . 1.0 109.98 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.4 63.06 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.129 0.877 . . . . 1.0 112.001 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.69 -48.93 11.61 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 118.592 0.633 . . . . 1.0 112.116 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -59.9 -45.01 93.91 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 117.373 0.586 . . . . 1.0 109.969 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.38 -51.11 63.56 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 128.156 2.582 . . . . 1.0 111.166 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.34 -53.86 53.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.737 -0.649 . . . . 1.0 109.754 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.88 95.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.485 0.49 . . . . 1.0 111.545 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.85 65.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 120.884 -1.135 . . . . 1.0 109.822 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.725 HG23 ' HA ' ' A' ' 4' ' ' ALA . 46.1 m -70.33 -59.38 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.795 0.807 . . . . 1.0 109.472 174.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -141.11 104.96 4.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 128.303 2.641 . . . . 1.0 109.483 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.232 0 N-CA-C 105.754 -1.943 . . . . 1.0 105.754 174.384 . . . . . . . . 1 1 . 1 stop_ save_