data_2lvo_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 2lvo _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 ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 44.6 m80 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.62 0.247 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 460' ' ' MET . . . . . 0.408 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.447 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.637 0.256 . . . . 10.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.459 ' O ' HG13 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.459 HG13 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.515 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.742 0.306 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.482 ' O ' HG21 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.435 ' O ' HG13 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.435 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.54 0.21 . . . . 10.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.2 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.508 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.525 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.508 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.447 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 46.7 m80 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.574 0.226 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.401 ' O ' HG13 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.401 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.549 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.549 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 57.7 m80 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 . . . . . 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.471 ' O ' HG13 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.471 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.435 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 49.4 m80 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.72 0.295 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.533 ' O ' HG13 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.533 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.431 ' O ' HG23 ' C' ' 476' ' ' VAL . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.446 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.446 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.55 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.9 m80 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.436 0.16 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.415 ' O ' HG13 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . 0.55 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.415 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.439 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.489 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.489 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' A' ' 26' ' ' VAL . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 53.2 m80 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.704 0.288 . . . . 10.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.454 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.415 ' O ' HG13 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.415 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 37.9 m80 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.676 0.274 . . . . 10.0 111.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.516 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . 0.506 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.522 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.522 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 10.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.524 0.202 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.4 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.401 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 0.2 OUTLIER -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.566 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . 0.481 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.566 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.456 ' O ' HG13 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.456 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.407 ' O ' HG13 ' C' ' 493' ' ' ILE . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.407 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.704 0.288 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.416 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.438 ' O ' HG23 ' C' ' 476' ' ' VAL . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.486 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.6 m80 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.425 ' CG1' ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.508 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.408 ' O ' HG13 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.408 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 490' ' ' THR . . . . . 0.425 ' HB ' ' CG1' ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 12.0 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.549 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.549 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG22 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.603 0.239 . . . . 10.0 110.653 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.478 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.465 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 48.4 m80 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.703 0.287 . . . . 10.0 110.364 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.43 ' O ' HG13 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.43 HG13 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.776 0.322 . . . . 10.0 110.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.416 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' C' ' 478' ' ' GLN . 1.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.515 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.515 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 44.6 m80 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -109.91 128.86 55.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 mp -142.76 116.58 9.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.84 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -86.51 14.94 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.84 -143.94 8.12 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.081 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 CA-C-O 119.029 -0.873 . . . . 10.0 111.029 -179.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.583 0.23 . . . . 10.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 65.38 16.7 10.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.951 0.5 . . . . 10.0 111.193 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -55.4 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 10.0 111.498 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -74.26 -36.55 63.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.594 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.79 -50.12 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.358 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 460' ' ' MET . . . . . 0.408 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.447 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -69.59 -35.47 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.58 131.16 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -67.69 99.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.988 0.423 . . . . 10.0 111.239 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -63.5 154.26 80.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 105.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.675 2.25 . . . . 10.0 112.535 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -115.69 121.78 33.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.081 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.13 119.15 6.12 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.362 2.041 . . . . 10.0 111.886 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.219 -0.896 . . . . 10.0 109.769 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.484 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.515 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 -90.42 144.7 25.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.7 mp -143.03 -170.6 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 10.0 110.81 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -138.5 -56.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 90.28 0.64 Allowed Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.901 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.96 -1.467 . . . . 10.0 110.999 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.514 0.197 . . . . 10.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.48 33.97 22.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.647 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -47.38 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.955 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.12 -40.27 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.34 -41.8 98.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.459 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.459 ' O ' HG13 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.459 HG13 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.484 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.515 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.59 -53.82 6.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.24 131.23 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.463 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -75.19 99.23 3.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.881 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.07 153.15 85.98 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.66 122.87 12.56 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.805 2.336 . . . . 10.0 112.274 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.29 144.75 44.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.175 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.28 76.65 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.264 1.976 . . . . 10.0 112.094 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.964 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -137.95 133.13 33.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -141.52 118.1 10.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.789 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -86.7 -2.97 58.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.99 101.34 0.94 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.275 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 CA-C-O 118.162 -1.354 . . . . 10.0 111.283 179.507 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.63 0.252 . . . . 10.0 111.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 66.22 16.56 10.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.203 0.601 . . . . 10.0 111.434 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.302 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -75.97 -40.44 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 10.0 110.304 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -40.19 96.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.574 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -85.16 -33.24 22.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.57 131.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -73.48 98.6 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.209 0.528 . . . . 10.0 110.903 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 21.6 m -69.94 164.18 54.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.386 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 74.1 Cg_exo -49.12 116.64 2.33 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.642 2.228 . . . . 10.0 112.27 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -116.57 129.48 25.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.53 111.82 2.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.414 2.076 . . . . 10.0 111.791 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.721 -1.133 . . . . 10.0 109.255 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 ' O ' HG21 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -151.17 144.71 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.33 162.11 29.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.183 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -117.44 6.27 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.796 0.331 . . . . 10.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.38 126.96 1.95 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.551 -0.833 . . . . 10.0 112.356 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.837 -1.535 . . . . 10.0 110.939 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.572 -0.159 . . . . 10.0 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 58.56 28.51 17.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.46 -0.337 . . . . 10.0 111.364 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -57.33 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.86 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.96 -30.7 70.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.308 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.58 -44.09 83.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.435 ' O ' HG13 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.435 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.09 -20.91 29.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 40.1 mt -116.42 127.46 74.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.885 -1.052 . . . . 10.0 109.001 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -61.88 122.82 16.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.047 0.451 . . . . 10.0 111.157 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.5 m -78.52 158.62 75.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.538 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.49 107.1 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.63 2.22 . . . . 10.0 112.202 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.42 125.86 25.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.974 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.68 121.66 9.28 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.377 2.051 . . . . 10.0 112.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.021 -179.849 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 -126.01 128.19 47.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.2 mp -139.59 132.14 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -121.25 21.77 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.336 0.589 . . . . 10.0 110.213 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.52 82.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.268 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.599 -1.111 . . . . 10.0 112.419 -179.266 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 453' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' C' ' 454' ' ' ASN . 1.2 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.258 0.075 . . . . 10.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.411 ' H ' ' HB2' ' C' ' 453' ' ' SER . 3.0 m-20 58.42 19.53 6.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.948 0.499 . . . . 10.0 111.791 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -52.54 56.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.366 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -63.87 -41.25 97.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.084 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' C' ' 501' ' ' PRO . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.2 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.508 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.525 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.508 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -76.47 -37.55 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.56 135.9 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.279 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -66.92 120.81 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.004 0.431 . . . . 10.0 110.815 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 1.9 m -76.07 147.59 80.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.607 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . 0.525 ' HG2' ' O ' ' C' ' 470' ' ' GLN . 44.9 Cg_exo -59.01 109.11 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.13 2.554 . . . . 10.0 113.231 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.3 133.44 21.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.458 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.32 116.04 2.93 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.804 2.336 . . . . 10.0 112.672 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.882 -0.58 . . . . 10.0 110.554 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.447 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 46.7 m80 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -128.25 138.99 52.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -140.81 129.83 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.777 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.11 -26.38 21.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 110.192 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.51 140.79 16.29 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.844 0 CA-C-O 118.823 -0.987 . . . . 10.0 111.441 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.443 0.163 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 66.72 21.01 10.64 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.097 0.559 . . . . 10.0 111.979 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -49.52 74.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.388 . . . . 10.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -78.47 -36.78 44.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.588 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.57 -50.1 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.225 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.401 ' O ' HG13 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.401 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.72 -45.79 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.88 136.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.348 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -70.18 115.0 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.003 0.43 . . . . 10.0 110.779 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -74.79 166.51 44.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.98 75.33 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.661 2.241 . . . . 10.0 112.33 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -75.12 133.67 75.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.94 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.64 107.62 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.699 2.266 . . . . 10.0 112.242 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.204 -0.903 . . . . 10.0 109.88 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.549 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 57.7 m80 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 -128.0 142.05 51.35 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.8 117.17 18.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.737 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -82.26 -5.48 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.076 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.15 126.51 5.81 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.593 -0.603 . . . . 10.0 111.593 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 CA-C-O 119.048 -0.862 . . . . 10.0 111.187 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.773 0.32 . . . . 10.0 110.747 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 67.37 20.56 9.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -47.93 83.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.3 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.61 -36.11 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.957 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.47 -42.5 92.18 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.471 ' O ' HG13 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.471 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.435 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -66.32 -49.48 66.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.87 122.96 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.89 107.54 4.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 10.0 110.629 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.42 161.12 61.34 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.37 119.85 7.07 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.472 2.114 . . . . 10.0 112.249 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -126.49 131.1 23.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.96 96.53 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.696 2.264 . . . . 10.0 112.205 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.963 -1.018 . . . . 10.0 109.145 -179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 49.4 m80 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -128.72 129.91 46.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mp -129.65 165.34 22.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.524 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -124.04 -36.07 2.75 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.31 120.17 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.665 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.11 -1.383 . . . . 10.0 111.182 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.504 0.193 . . . . 10.0 110.778 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 59.15 29.48 19.04 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.237 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -53.2 59.97 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.412 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -64.31 -38.53 91.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.712 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.24 -41.97 99.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.533 ' O ' HG13 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.533 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.431 ' O ' HG23 ' C' ' 476' ' ' VAL . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.431 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.446 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.446 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -73.0 -31.32 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.57 124.78 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.926 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -71.78 140.2 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 10.0 111.889 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.09 168.97 18.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.078 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.2 90.8 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.501 2.134 . . . . 10.0 111.963 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.432 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 81.1 t80 -92.75 131.49 33.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.432 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 30.3 Cg_endo -65.58 96.28 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.692 2.261 . . . . 10.0 112.107 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.254 1.317 0 CA-C-O 118.071 -0.966 . . . . 10.0 109.675 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.9 m80 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 -87.9 134.67 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CB ' HG12 ' C' ' 488' ' ' ILE . 3.7 mp -143.0 152.58 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.335 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -123.14 -11.25 8.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 10.0 111.015 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.34 106.42 3.27 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.812 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.229 -1.317 . . . . 10.0 111.834 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.62 -0.141 . . . . 10.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.62 10.55 6.8 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.545 0.338 . . . . 10.0 111.62 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -50.71 57.49 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -178.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.65 -39.08 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.898 0.38 . . . . 10.0 111.236 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.36 -36.83 85.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.972 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.415 ' O ' HG13 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . 0.55 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.415 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.439 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 73' ' ' LEU . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -83.23 -28.97 28.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.96 118.15 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.166 -0.925 . . . . 10.0 108.743 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -69.31 139.03 54.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.208 0.528 . . . . 10.0 111.375 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 13.8 m -87.61 166.79 23.29 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 51.6 Cg_exo -54.98 99.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.564 2.176 . . . . 10.0 112.088 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -111.15 130.93 22.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.636 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 119.41 6.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.764 2.309 . . . . 10.0 112.471 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.422 179.694 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.489 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.489 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' A' ' 26' ' ' VAL . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.454 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 53.2 m80 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 -148.27 141.09 24.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.99 160.62 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -117.44 15.94 14.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.525 0.679 . . . . 10.0 109.945 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.59 156.54 28.25 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.211 -0.904 . . . . 10.0 111.031 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.243 -1.31 . . . . 10.0 111.728 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.526 0.203 . . . . 10.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 60.53 24.9 14.55 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.307 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.08 -50.82 62.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.035 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -66.64 -36.61 82.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.99 0.424 . . . . 10.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.64 -43.28 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.454 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.415 ' O ' HG13 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.415 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -72.96 -32.64 65.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.03 135.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.343 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -66.74 115.17 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 10.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.15 159.14 60.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.6 101.26 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.441 2.094 . . . . 10.0 112.417 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.461 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 76.1 t80 -115.39 135.63 22.61 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 19.8 Cg_endo -62.47 103.48 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.476 2.118 . . . . 10.0 111.99 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.242 -0.885 . . . . 10.0 109.717 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 37.9 m80 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -82.56 156.75 23.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -126.46 154.38 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.728 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -99.46 -15.81 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.679 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.41 136.53 7.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.579 -0.82 . . . . 10.0 112.276 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.088 -1.396 . . . . 10.0 111.174 179.587 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.493 0.187 . . . . 10.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.74 26.2 15.3 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.817 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -51.46 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.945 0.402 . . . . 10.0 111.241 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -61.04 -41.29 96.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.779 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.65 -42.2 91.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.07 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.516 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . 0.506 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.522 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.522 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -73.76 -35.56 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.1 mp -94.49 129.07 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -62.7 105.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.05 0.452 . . . . 10.0 111.564 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.3 m -70.24 157.75 89.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.78 115.41 2.43 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.445 2.097 . . . . 10.0 112.011 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -126.25 133.41 24.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.44 97.45 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.697 2.265 . . . . 10.0 111.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.992 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.18 171.69 7.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.61 -179.89 4.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.609 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -103.0 -33.72 9.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.112 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 154.97 26.05 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.563 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.372 -1.238 . . . . 10.0 111.364 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.518 0.199 . . . . 10.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 69.4 5.56 5.21 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.155 0.582 . . . . 10.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -48.76 79.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.494 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -64.35 -41.72 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.009 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.98 -41.64 86.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.635 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -70.27 -37.55 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.68 131.03 53.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.416 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.48 117.24 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -81.58 162.16 59.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.11 113.07 1.27 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.741 2.294 . . . . 10.0 112.169 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -128.1 134.91 26.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.183 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.37 113.43 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.666 2.244 . . . . 10.0 112.065 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.251 -0.881 . . . . 10.0 109.863 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -90.41 154.39 19.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.83 178.73 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.43 -22.61 3.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.286 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.09 108.54 1.1 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.617 -0.801 . . . . 10.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.013 -0.882 . . . . 10.0 111.706 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.375 0.131 . . . . 10.0 110.708 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 64.78 20.45 12.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.63 0.372 . . . . 10.0 111.87 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -62.01 -47.0 86.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.736 0.303 . . . . 10.0 111.627 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -68.48 -42.88 78.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.96 0.409 . . . . 10.0 110.58 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.99 -44.29 96.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.002 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.4 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.401 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 0.2 OUTLIER -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.566 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.481 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.566 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 -64.01 -44.55 92.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 51.1 mt -104.36 125.69 59.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.794 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -62.51 129.48 40.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.944 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.62 165.84 45.35 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.88 81.76 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.416 2.077 . . . . 10.0 111.803 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -82.29 113.61 45.19 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.083 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -69.33 100.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.233 1.955 . . . . 10.0 112.479 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.052 -0.975 . . . . 10.0 109.296 179.673 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -134.15 128.76 34.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.21 130.72 52.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.375 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -95.66 12.98 27.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.126 0.489 . . . . 10.0 110.711 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.74 132.37 7.21 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.614 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.889 -0.95 . . . . 10.0 111.84 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.434 0.159 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.32 23.38 13.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.747 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -41.78 95.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.348 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -66.78 -38.34 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 10.0 110.661 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.65 -40.71 84.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.263 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.456 ' O ' HG13 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.456 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.407 ' O ' HG13 ' C' ' 493' ' ' ILE . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.407 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -67.35 -51.92 46.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.5 125.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.571 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -75.73 112.75 12.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.444 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.01 160.78 82.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.85 118.99 5.94 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.619 2.213 . . . . 10.0 112.62 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -128.51 133.03 24.72 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.486 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 100.56 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.419 2.079 . . . . 10.0 111.986 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.425 -0.798 . . . . 10.0 110.182 -179.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -95.93 146.6 24.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -143.27 157.38 44.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.057 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -96.54 -43.57 7.54 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.838 -0.345 . . . . 10.0 110.458 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.18 -179.91 19.66 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.843 -0.694 . . . . 10.0 111.743 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.313 -1.271 . . . . 10.0 111.807 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.397 0.141 . . . . 10.0 110.715 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 65.25 22.51 12.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.712 0.405 . . . . 10.0 110.692 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -56.5 8.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.118 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -66.54 -33.49 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.56 -42.63 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.673 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.416 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.438 ' O ' HG23 ' C' ' 476' ' ' VAL . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.486 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -87.98 -39.21 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 70.4 mt -110.7 143.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.878 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -69.16 116.37 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.084 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.96 160.66 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.39 79.38 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.824 2.349 . . . . 10.0 112.162 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -86.33 134.01 39.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.388 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.04 117.2 4.23 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.455 2.103 . . . . 10.0 111.733 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.003 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.6 m80 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.425 ' CG1' ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -133.96 141.19 47.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -120.46 152.22 38.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.781 0.324 . . . . 10.0 110.152 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -91.99 -16.17 26.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.47 0.652 . . . . 10.0 109.388 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.41 140.41 6.26 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.903 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.176 -1.347 . . . . 10.0 111.488 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 120.514 0.197 . . . . 10.0 110.758 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 65.68 14.34 9.46 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.103 0.561 . . . . 10.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -67.03 -43.35 83.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.576 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.1 -35.03 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.74 -42.87 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.853 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.508 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.408 ' O ' HG13 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.408 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 490' ' ' THR . . . . . 0.425 ' HB ' ' CG1' ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -72.52 -43.42 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -90.3 127.68 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.268 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.0 123.81 21.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.917 0.389 . . . . 10.0 111.337 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.42 166.02 48.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.351 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.12 85.33 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 10.0 111.788 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.14 129.45 55.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.734 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.13 92.66 0.81 Allowed 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.754 2.302 . . . . 10.0 111.78 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.806 -1.093 . . . . 10.0 109.587 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 12.0 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.489 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -98.36 154.03 18.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.72 166.39 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -101.35 -18.89 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 10.0 110.594 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.41 149.88 19.03 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.499 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.255 -1.303 . . . . 10.0 111.727 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.448 0.166 . . . . 10.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 64.54 24.59 13.09 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.693 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.25 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.296 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -67.12 -37.3 83.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.058 0.456 . . . . 10.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.48 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.961 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.549 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.549 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . 0.426 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 -57.71 -52.41 65.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -92.9 113.67 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.82 110.22 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 10.0 110.506 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.8 156.53 45.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.067 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.7 102.74 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.738 2.292 . . . . 10.0 112.46 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.76 128.73 28.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.652 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -66.34 93.85 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.49 2.127 . . . . 10.0 112.135 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.212 -0.899 . . . . 10.0 109.518 179.388 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG22 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.14 136.6 35.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.4 118.65 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.998 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -90.95 37.59 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.009 0.433 . . . . 10.0 110.783 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.07 106.58 0.3 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.137 -0.554 . . . . 10.0 111.742 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 119.134 -0.815 . . . . 10.0 111.236 179.78 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.554 0.216 . . . . 10.0 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.19 17.24 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.799 0.44 . . . . 10.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -49.66 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.335 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -62.76 -39.29 93.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.36 -40.9 94.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.653 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.478 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.465 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -26.88 33.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.36 133.95 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.542 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -68.25 105.6 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.06 0.457 . . . . 10.0 111.309 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.63 161.54 63.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.232 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.285 1.99 . . . . 10.0 112.155 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -120.2 131.27 24.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.885 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.46 100.09 0.39 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.628 2.219 . . . . 10.0 112.085 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.254 1.31 0 CA-C-O 117.775 -1.107 . . . . 10.0 109.765 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 48.4 m80 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 -86.77 157.05 19.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -135.53 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.903 0.382 . . . . 10.0 110.665 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -101.09 -9.48 21.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.145 0.498 . . . . 10.0 110.0 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.22 166.34 17.26 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.417 -0.811 . . . . 10.0 111.439 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.272 -1.293 . . . . 10.0 111.537 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.558 0.218 . . . . 10.0 111.095 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.98 19.88 11.97 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.706 0.402 . . . . 10.0 111.775 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.25 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 10.0 111.007 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -72.66 -34.49 67.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.418 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.27 -42.71 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.364 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.43 ' O ' HG13 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.43 HG13 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.78 -48.07 34.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.39 117.95 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.225 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -64.12 115.4 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.756 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.78 159.5 83.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.316 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.93 102.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.808 2.339 . . . . 10.0 112.596 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.447 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 53.5 t80 -92.04 138.6 24.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.341 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.447 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 37.8 Cg_endo -69.26 73.66 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.979 2.453 . . . . 10.0 112.954 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.272 -0.87 . . . . 10.0 109.501 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -96.66 148.04 23.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.19 160.85 22.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -116.89 12.33 14.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.569 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.6 146.57 10.76 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.157 -0.777 . . . . 10.0 111.157 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.106 -1.385 . . . . 10.0 111.723 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.531 0.205 . . . . 10.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.415 ' OD1' HD13 ' C' ' 457' ' ' LEU . 94.9 m-20 59.81 29.73 19.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.797 0.439 . . . . 10.0 110.624 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -55.41 28.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.571 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.6 -34.11 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.049 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . 0.415 HD13 ' OD1' ' C' ' 454' ' ' ASN . 56.5 mt -65.43 -35.18 80.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.487 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.416 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' C' ' 478' ' ' GLN . 1.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.515 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.515 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.73 -51.28 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.11 122.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.173 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.12 135.84 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.312 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 8.9 m -86.36 155.86 56.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.62 104.24 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.41 2.074 . . . . 10.0 111.748 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.14 136.96 20.44 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.925 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.97 101.61 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.432 2.088 . . . . 10.0 111.78 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.255 -0.878 . . . . 10.0 110.124 -179.711 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' A' ' 50' ' ' LEU . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 43' ' ' LEU . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.62 0.247 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 460' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.454 ' HB3' HG23 ' C' ' 489' ' ' THR . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.454 HG23 ' HB3' ' C' ' 479' ' ' ASP . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 15' ' ' LEU . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 5' ' ' VAL . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.637 0.256 . . . . 10.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.467 ' O ' HG12 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.812 ' HB3' HG23 ' C' ' 489' ' ' THR . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.733 HD22 HG21 ' C' ' 489' ' ' THR . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.812 HG23 ' HB3' ' C' ' 479' ' ' ASP . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.522 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' A' ' 69' ' ' LEU . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD11 HG12 ' A' ' 30' ' ' ILE . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG12 HD11 ' A' ' 15' ' ' LEU . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HG2' HD11 ' A' ' 69' ' ' LEU . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.776 ' HB3' HD21 ' A' ' 50' ' ' LEU . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 41' ' ' GLN . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 ' HB ' ' C' ' 490' ' ' THR . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.742 0.306 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 474' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 475' ' ' LEU . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.602 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.602 HG23 ' HB3' ' C' ' 479' ' ' ASP . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.456 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.405 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 70' ' ' VAL . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 31.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.444 ' O ' HG12 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.444 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 475' ' ' LEU . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.642 ' HB3' HG23 ' C' ' 489' ' ' THR . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.642 HG23 ' HB3' ' C' ' 479' ' ' ASP . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 487' ' ' GLU . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' C' ' 490' ' ' THR . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.54 0.21 . . . . 10.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.51 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.488 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.519 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.51 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD21 HG21 ' C' ' 490' ' ' THR . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.691 ' HB3' HD21 ' A' ' 50' ' ' LEU . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG13 ' HB ' ' C' ' 490' ' ' THR . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.574 0.226 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 462' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 466' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.413 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.413 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.568 HD21 HG21 ' C' ' 490' ' ' THR . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' C' ' 467' ' ' MET . 99.0 m-70 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 . . . . . 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.482 ' O ' HG12 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.482 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.429 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.568 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.429 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.788 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' C' ' 490' ' ' THR . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.72 0.295 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.449 HD11 HG12 ' C' ' 486' ' ' VAL . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.548 ' O ' HG12 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.548 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.472 ' HG2' HD12 ' C' ' 475' ' ' LEU . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' C' ' 472' ' ' PRO . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 478' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 41.1 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' C' ' 482' ' ' LEU . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.449 HG12 HD11 ' C' ' 464' ' ' ILE . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.448 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.448 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' GLN . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.436 0.16 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 470' ' ' GLN . . . . . 0.558 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' C' ' 489' ' ' THR . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 483' ' ' THR . . . . . 0.557 ' HB ' HD12 ' C' ' 488' ' ' ILE . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.557 HD12 ' HB ' ' C' ' 483' ' ' THR . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.555 HG23 ' HB3' ' C' ' 479' ' ' ASP . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.469 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.503 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.503 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' C' ' 467' ' ' MET . 92.1 m-70 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 7' ' ' THR . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG13 ' HB ' ' C' ' 490' ' ' THR . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.704 0.288 . . . . 10.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.409 HD11 HG12 ' C' ' 486' ' ' VAL . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.467 ' HA ' ' CE1' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.409 HG12 HD11 ' C' ' 464' ' ' ILE . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.443 HG23 ' HB3' ' C' ' 479' ' ' ASP . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.569 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.676 0.274 . . . . 10.0 111.07 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.512 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.524 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 492' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.524 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' HD22 ' C' ' 494' ' ' LEU . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 43' ' ' LEU . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 10.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' C' ' 479' ' ' ASP . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.437 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD21 HG21 ' C' ' 490' ' ' THR . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.539 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.524 0.202 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.417 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 469' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.513 ' HG2' HD12 ' C' ' 475' ' ' LEU . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.513 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 478' ' ' GLN . . . . . 0.451 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 4.9 tt0 -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.563 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.404 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 492' ' ' ASN . . . . . 0.496 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.563 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 497' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' THR . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.423 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 2.8 ttt180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.48 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.466 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.466 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.541 HG23 ' HB3' ' C' ' 479' ' ' ASP . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.413 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 15' ' ' LEU . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 5' ' ' VAL . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.704 0.288 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.437 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 469' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.49 ' HG2' HD12 ' C' ' 475' ' ' LEU . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' C' ' 472' ' ' PRO . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' C' ' 489' ' ' THR . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.487 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.613 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.487 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 497' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 497' ' ' ARG . 1.3 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 30' ' ' ILE . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 15' ' ' LEU . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 34' ' ' GLU . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG13 ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.415 HD11 HG12 ' C' ' 486' ' ' VAL . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.415 HG12 HD11 ' C' ' 464' ' ' ILE . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 70' ' ' VAL . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HB3' HD21 ' A' ' 50' ' ' LEU . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.404 ' O ' HG23 ' C' ' 476' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 472' ' ' PRO . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' C' ' 482' ' ' LEU . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.502 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 492' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 497' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.818 ' HB3' HD21 ' A' ' 50' ' ' LEU . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 457' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 457' ' ' LEU . 12.9 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.603 0.239 . . . . 10.0 110.653 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.507 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 474' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.41 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.467 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.467 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 ' HG3' ' C' ' 467' ' ' MET . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 45' ' ' PHE . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.703 0.287 . . . . 10.0 110.364 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 459' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.544 ' HG3' HD23 ' A' ' 8' ' ' LEU . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.44 HG12 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.437 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.437 HG23 ' HB3' ' C' ' 479' ' ' ASP . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.451 ' OE1' ' HA ' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' HG3' ' C' ' 467' ' ' MET . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 457' ' ' LEU . . . . . 0.412 HD22 HD12 ' C' ' 480' ' ' LEU . 56.5 mt . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.776 0.322 . . . . 10.0 110.487 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.427 ' HG3' HD23 ' A' ' 8' ' ' LEU . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.43 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.416 HD12 ' HG2' ' C' ' 472' ' ' PRO . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.43 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.468 ' HB3' HG23 ' C' ' 489' ' ' THR . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.412 HD12 HD22 ' C' ' 457' ' ' LEU . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.523 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.587 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' A' ' 50' ' ' LEU . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 43' ' ' LEU . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -109.91 128.86 55.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' HB2' HG12 ' C' ' 488' ' ' ILE . 3.4 mp -142.76 116.58 9.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.84 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -86.51 14.94 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.84 -143.94 8.12 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.081 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 CA-C-O 119.029 -0.873 . . . . 10.0 111.029 -179.433 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.583 0.23 . . . . 10.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 65.38 16.7 10.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.951 0.5 . . . . 10.0 111.193 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -55.4 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 10.0 111.498 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -74.26 -36.55 63.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.594 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.79 -50.12 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.358 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 460' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.454 ' HB3' HG23 ' C' ' 489' ' ' THR . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 73' ' ' LEU . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.454 HG23 ' HB3' ' C' ' 479' ' ' ASP . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -69.59 -35.47 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.58 131.16 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -67.69 99.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.988 0.423 . . . . 10.0 111.239 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -63.5 154.26 80.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 105.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.675 2.25 . . . . 10.0 112.535 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -115.69 121.78 33.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.081 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.13 119.15 6.12 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.362 2.041 . . . . 10.0 111.886 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.219 -0.896 . . . . 10.0 109.769 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 15' ' ' LEU . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 5' ' ' VAL . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 -90.42 144.7 25.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.7 mp -143.03 -170.6 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 10.0 110.81 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -138.5 -56.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 90.28 0.64 Allowed Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.901 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.96 -1.467 . . . . 10.0 110.999 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.514 0.197 . . . . 10.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.48 33.97 22.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.647 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -47.38 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.955 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.12 -40.27 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.34 -41.8 98.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.459 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.467 ' O ' HG12 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.812 ' HB3' HG23 ' C' ' 489' ' ' THR . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.733 HD22 HG21 ' C' ' 489' ' ' THR . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.812 HG23 ' HB3' ' C' ' 479' ' ' ASP . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.522 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.59 -53.82 6.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.24 131.23 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.463 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -75.19 99.23 3.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.881 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.07 153.15 85.98 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.66 122.87 12.56 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.805 2.336 . . . . 10.0 112.274 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.29 144.75 44.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.175 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.28 76.65 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.264 1.976 . . . . 10.0 112.094 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.964 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' A' ' 69' ' ' LEU . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD11 HG12 ' A' ' 30' ' ' ILE . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG12 HD11 ' A' ' 15' ' ' LEU . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HG2' HD11 ' A' ' 69' ' ' LEU . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.776 ' HB3' HD21 ' A' ' 50' ' ' LEU . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 41' ' ' GLN . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 ' HB ' ' C' ' 490' ' ' THR . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -137.95 133.13 33.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' HB2' HG12 ' C' ' 488' ' ' ILE . 5.2 mp -141.52 118.1 10.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.789 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -86.7 -2.97 58.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.99 101.34 0.94 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.275 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 CA-C-O 118.162 -1.354 . . . . 10.0 111.283 179.507 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.63 0.252 . . . . 10.0 111.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 66.22 16.56 10.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.203 0.601 . . . . 10.0 111.434 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.302 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -75.97 -40.44 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 10.0 110.304 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -40.19 96.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.574 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 474' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 475' ' ' LEU . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.602 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.4 HG12 ' HB2' ' A' ' 73' ' ' LEU . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.602 HG23 ' HB3' ' C' ' 479' ' ' ASP . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.456 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.405 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 70' ' ' VAL . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -85.16 -33.24 22.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.57 131.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -73.48 98.6 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.209 0.528 . . . . 10.0 110.903 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 21.6 m -69.94 164.18 54.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.386 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 74.1 Cg_exo -49.12 116.64 2.33 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.642 2.228 . . . . 10.0 112.27 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -116.57 129.48 25.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.53 111.82 2.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.414 2.076 . . . . 10.0 111.791 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.721 -1.133 . . . . 10.0 109.255 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 31.3 ttt180 -151.17 144.71 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.33 162.11 29.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.183 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -117.44 6.27 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.796 0.331 . . . . 10.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.38 126.96 1.95 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.551 -0.833 . . . . 10.0 112.356 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.837 -1.535 . . . . 10.0 110.939 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.572 -0.159 . . . . 10.0 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 58.56 28.51 17.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.46 -0.337 . . . . 10.0 111.364 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -57.33 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.86 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.96 -30.7 70.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.308 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.58 -44.09 83.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.444 ' O ' HG12 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.444 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 475' ' ' LEU . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.642 ' HB3' HG23 ' C' ' 489' ' ' THR . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.642 HG23 ' HB3' ' C' ' 479' ' ' ASP . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.09 -20.91 29.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 40.1 mt -116.42 127.46 74.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.885 -1.052 . . . . 10.0 109.001 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -61.88 122.82 16.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.047 0.451 . . . . 10.0 111.157 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.5 m -78.52 158.62 75.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.538 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.49 107.1 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.63 2.22 . . . . 10.0 112.202 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.42 125.86 25.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.974 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.68 121.66 9.28 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.377 2.051 . . . . 10.0 112.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.021 -179.849 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 487' ' ' GLU . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' C' ' 490' ' ' THR . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 -126.01 128.19 47.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.2 mp -139.59 132.14 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -121.25 21.77 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.336 0.589 . . . . 10.0 110.213 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.52 82.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.268 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.599 -1.111 . . . . 10.0 112.419 -179.266 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.258 0.075 . . . . 10.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.42 19.53 6.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.948 0.499 . . . . 10.0 111.791 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -52.54 56.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.366 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -63.87 -41.25 97.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.084 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 470' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' C' ' 501' ' ' PRO . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.51 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.488 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.519 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.51 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -76.47 -37.55 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.414 HD13 HG12 ' C' ' 493' ' ' ILE . 4.1 mp -100.56 135.9 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.279 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -66.92 120.81 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.004 0.431 . . . . 10.0 110.815 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.421 HG22 ' H ' ' C' ' 500' ' ' VAL . 1.9 m -76.07 147.59 80.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.55 ' HG2' ' O ' ' C' ' 470' ' ' GLN . 44.9 Cg_exo -59.01 109.11 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.13 2.554 . . . . 10.0 113.231 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.3 133.44 21.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.458 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.32 116.04 2.93 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.804 2.336 . . . . 10.0 112.672 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.882 -0.58 . . . . 10.0 110.554 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD21 HG21 ' C' ' 490' ' ' THR . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.691 ' HB3' HD21 ' A' ' 50' ' ' LEU . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG13 ' HB ' ' C' ' 490' ' ' THR . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -128.25 138.99 52.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -140.81 129.83 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.777 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.11 -26.38 21.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 110.192 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.51 140.79 16.29 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.844 0 CA-C-O 118.823 -0.987 . . . . 10.0 111.441 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.443 0.163 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 66.72 21.01 10.64 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.097 0.559 . . . . 10.0 111.979 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -49.52 74.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.388 . . . . 10.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -78.47 -36.78 44.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.588 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.57 -50.1 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.225 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 462' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 466' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.413 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.413 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.72 -45.79 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.88 136.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.348 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -70.18 115.0 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.003 0.43 . . . . 10.0 110.779 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -74.79 166.51 44.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.98 75.33 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.661 2.241 . . . . 10.0 112.33 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -75.12 133.67 75.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.94 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.64 107.62 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.699 2.266 . . . . 10.0 112.242 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.204 -0.903 . . . . 10.0 109.88 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD21 HG21 ' C' ' 490' ' ' THR . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' C' ' 467' ' ' MET . 99.0 m-70 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 -128.0 142.05 51.35 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.8 117.17 18.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.737 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -82.26 -5.48 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.076 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.15 126.51 5.81 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.593 -0.603 . . . . 10.0 111.593 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 CA-C-O 119.048 -0.862 . . . . 10.0 111.187 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.773 0.32 . . . . 10.0 110.747 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 67.37 20.56 9.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -47.93 83.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.3 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.61 -36.11 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.957 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.47 -42.5 92.18 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.482 ' O ' HG12 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.482 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.429 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.568 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.429 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -66.32 -49.48 66.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.87 122.96 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.89 107.54 4.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 10.0 110.629 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.42 161.12 61.34 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.37 119.85 7.07 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.472 2.114 . . . . 10.0 112.249 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -126.49 131.1 23.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.96 96.53 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.696 2.264 . . . . 10.0 112.205 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.963 -1.018 . . . . 10.0 109.145 -179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.788 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' C' ' 490' ' ' THR . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -128.72 129.91 46.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mp -129.65 165.34 22.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.524 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -124.04 -36.07 2.75 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.31 120.17 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.665 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.11 -1.383 . . . . 10.0 111.182 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.504 0.193 . . . . 10.0 110.778 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 59.15 29.48 19.04 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.237 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -53.2 59.97 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.412 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -64.31 -38.53 91.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.712 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.24 -41.97 99.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.449 HD11 HG12 ' C' ' 486' ' ' VAL . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.548 ' O ' HG12 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.548 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.472 ' HG2' HD12 ' C' ' 475' ' ' LEU . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' C' ' 472' ' ' PRO . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 478' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 41.1 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' C' ' 482' ' ' LEU . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.449 HG12 HD11 ' C' ' 464' ' ' ILE . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.448 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.448 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' GLN . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -73.0 -31.32 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.57 124.78 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.926 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -71.78 140.2 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 10.0 111.889 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.4 ' HB ' ' CD ' ' C' ' 501' ' ' PRO . 29.5 m -84.09 168.97 18.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.078 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.4 ' CD ' ' HB ' ' C' ' 500' ' ' VAL . 21.7 Cg_exo -65.2 90.8 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.501 2.134 . . . . 10.0 111.963 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.428 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 81.1 t80 -92.75 131.49 33.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 503' ' ' PRO . . . . . 0.428 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 30.3 Cg_endo -65.58 96.28 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.692 2.261 . . . . 10.0 112.107 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.254 1.317 0 CA-C-O 118.071 -0.966 . . . . 10.0 109.675 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 -87.9 134.67 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' HB2' HG12 ' C' ' 488' ' ' ILE . 3.7 mp -143.0 152.58 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.335 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -123.14 -11.25 8.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 10.0 111.015 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.34 106.42 3.27 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.812 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.229 -1.317 . . . . 10.0 111.834 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.62 -0.141 . . . . 10.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.463 ' ND2' HD12 ' C' ' 457' ' ' LEU . 3.6 t-20 65.62 10.55 6.8 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.545 0.338 . . . . 10.0 111.62 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -50.71 57.49 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -178.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.65 -39.08 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.898 0.38 . . . . 10.0 111.236 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.463 HD12 ' ND2' ' C' ' 454' ' ' ASN . 86.5 mt -64.36 -36.83 85.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.972 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 470' ' ' GLN . . . . . 0.558 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' C' ' 489' ' ' THR . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 483' ' ' THR . . . . . 0.557 ' HB ' HD12 ' C' ' 488' ' ' ILE . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.557 HD12 ' HB ' ' C' ' 483' ' ' THR . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.555 HG23 ' HB3' ' C' ' 479' ' ' ASP . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.469 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -83.23 -28.97 28.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.96 118.15 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.166 -0.925 . . . . 10.0 108.743 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -69.31 139.03 54.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.208 0.528 . . . . 10.0 111.375 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 13.8 m -87.61 166.79 23.29 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 51.6 Cg_exo -54.98 99.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.564 2.176 . . . . 10.0 112.088 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -111.15 130.93 22.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.636 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 119.41 6.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.764 2.309 . . . . 10.0 112.471 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.422 179.694 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.503 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.503 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' C' ' 467' ' ' MET . 92.1 m-70 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 7' ' ' THR . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG13 ' HB ' ' C' ' 490' ' ' THR . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 -148.27 141.09 24.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD13 HG12 ' C' ' 488' ' ' ILE . 2.7 mp -124.99 160.62 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -117.44 15.94 14.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.525 0.679 . . . . 10.0 109.945 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.59 156.54 28.25 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.211 -0.904 . . . . 10.0 111.031 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.243 -1.31 . . . . 10.0 111.728 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.526 0.203 . . . . 10.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 60.53 24.9 14.55 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.307 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.08 -50.82 62.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.035 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -66.64 -36.61 82.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.99 0.424 . . . . 10.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.64 -43.28 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.409 HD11 HG12 ' C' ' 486' ' ' VAL . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.467 ' HA ' ' CE1' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.409 HG12 HD11 ' C' ' 464' ' ' ILE . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.488 HG12 HD13 ' A' ' 73' ' ' LEU . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.443 HG23 ' HB3' ' C' ' 479' ' ' ASP . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.569 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -72.96 -32.64 65.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.03 135.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.343 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -66.74 115.17 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 10.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.15 159.14 60.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.6 101.26 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.441 2.094 . . . . 10.0 112.417 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.452 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 76.1 t80 -115.39 135.63 22.61 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 503' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 19.8 Cg_endo -62.47 103.48 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.476 2.118 . . . . 10.0 111.99 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.242 -0.885 . . . . 10.0 109.717 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -82.56 156.75 23.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -126.46 154.38 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.728 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -99.46 -15.81 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.679 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.41 136.53 7.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.579 -0.82 . . . . 10.0 112.276 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.088 -1.396 . . . . 10.0 111.174 179.587 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.493 0.187 . . . . 10.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.74 26.2 15.3 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.817 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -51.46 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.945 0.402 . . . . 10.0 111.241 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -61.04 -41.29 96.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.779 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.65 -42.2 91.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.07 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.512 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.524 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.524 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -73.76 -35.56 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.1 mp -94.49 129.07 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -62.7 105.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.05 0.452 . . . . 10.0 111.564 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.3 m -70.24 157.75 89.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.78 115.41 2.43 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.445 2.097 . . . . 10.0 112.011 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -126.25 133.41 24.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.44 97.45 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.697 2.265 . . . . 10.0 111.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.992 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' HD22 ' C' ' 494' ' ' LEU . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 43' ' ' LEU . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.18 171.69 7.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD13 HG12 ' C' ' 488' ' ' ILE . 5.1 mp -124.61 -179.89 4.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.609 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -103.0 -33.72 9.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.112 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 154.97 26.05 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.563 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.372 -1.238 . . . . 10.0 111.364 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.518 0.199 . . . . 10.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 69.4 5.56 5.21 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.155 0.582 . . . . 10.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -48.76 79.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.494 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -64.35 -41.72 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.009 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.98 -41.64 86.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.635 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.421 HG12 HD13 ' A' ' 73' ' ' LEU . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' C' ' 479' ' ' ASP . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.437 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -70.27 -37.55 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.68 131.03 53.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.416 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.48 117.24 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -81.58 162.16 59.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.11 113.07 1.27 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.741 2.294 . . . . 10.0 112.169 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -128.1 134.91 26.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.183 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.37 113.43 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.666 2.244 . . . . 10.0 112.065 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.251 -0.881 . . . . 10.0 109.863 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD21 HG21 ' C' ' 490' ' ' THR . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.539 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -90.41 154.39 19.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.83 178.73 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.43 -22.61 3.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.286 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.09 108.54 1.1 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.617 -0.801 . . . . 10.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.013 -0.882 . . . . 10.0 111.706 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.375 0.131 . . . . 10.0 110.708 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.78 20.45 12.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.63 0.372 . . . . 10.0 111.87 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -62.01 -47.0 86.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.736 0.303 . . . . 10.0 111.627 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -68.48 -42.88 78.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.96 0.409 . . . . 10.0 110.58 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.99 -44.29 96.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.002 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.417 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 469' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.513 ' HG2' HD12 ' C' ' 475' ' ' LEU . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.513 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 478' ' ' GLN . . . . . 0.451 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 4.9 tt0 -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' C' ' 498' ' ' ILE . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.563 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.404 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.496 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.563 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 -64.01 -44.55 92.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' C' ' 479' ' ' ASP . 51.1 mt -104.36 125.69 59.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.794 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -62.51 129.48 40.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.944 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.62 165.84 45.35 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.88 81.76 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.416 2.077 . . . . 10.0 111.803 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -82.29 113.61 45.19 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.083 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -69.33 100.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.233 1.955 . . . . 10.0 112.479 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.052 -0.975 . . . . 10.0 109.296 179.673 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' THR . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.423 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 2.8 ttt180 -134.15 128.76 34.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.21 130.72 52.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.375 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -95.66 12.98 27.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.126 0.489 . . . . 10.0 110.711 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.74 132.37 7.21 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.614 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.889 -0.95 . . . . 10.0 111.84 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.434 0.159 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.32 23.38 13.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.747 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -41.78 95.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.348 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -66.78 -38.34 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 10.0 110.661 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.65 -40.71 84.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.263 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.48 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.466 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.466 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.541 HG23 ' HB3' ' C' ' 479' ' ' ASP . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.413 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -67.35 -51.92 46.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.5 125.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.571 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -75.73 112.75 12.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.444 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.01 160.78 82.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.85 118.99 5.94 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.619 2.213 . . . . 10.0 112.62 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -128.51 133.03 24.72 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.486 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 100.56 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.419 2.079 . . . . 10.0 111.986 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.425 -0.798 . . . . 10.0 110.182 -179.633 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 15' ' ' LEU . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 5' ' ' VAL . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -95.93 146.6 24.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -143.27 157.38 44.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.057 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -96.54 -43.57 7.54 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.838 -0.345 . . . . 10.0 110.458 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.18 -179.91 19.66 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.843 -0.694 . . . . 10.0 111.743 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.313 -1.271 . . . . 10.0 111.807 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.397 0.141 . . . . 10.0 110.715 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 65.25 22.51 12.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.712 0.405 . . . . 10.0 110.692 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -56.5 8.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.118 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -66.54 -33.49 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.56 -42.63 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.673 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.437 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 469' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.49 ' HG2' HD12 ' C' ' 475' ' ' LEU . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' C' ' 472' ' ' PRO . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' C' ' 489' ' ' THR . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.487 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.613 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.487 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 497' ' ' ARG . 1.3 tpp180 -87.98 -39.21 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.447 HG23 HD13 ' C' ' 475' ' ' LEU . 70.4 mt -110.7 143.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.878 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -69.16 116.37 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.084 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.96 160.66 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.39 79.38 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.824 2.349 . . . . 10.0 112.162 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -86.33 134.01 39.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.388 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.04 117.2 4.23 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.455 2.103 . . . . 10.0 111.733 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.003 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 30' ' ' ILE . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 15' ' ' LEU . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 34' ' ' GLU . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG13 ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -133.96 141.19 47.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -120.46 152.22 38.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.781 0.324 . . . . 10.0 110.152 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -91.99 -16.17 26.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.47 0.652 . . . . 10.0 109.388 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.41 140.41 6.26 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.903 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.176 -1.347 . . . . 10.0 111.488 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 120.514 0.197 . . . . 10.0 110.758 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 65.68 14.34 9.46 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.103 0.561 . . . . 10.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -67.03 -43.35 83.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.576 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.1 -35.03 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.74 -42.87 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.853 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.415 HD11 HG12 ' C' ' 486' ' ' VAL . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.415 HG12 HD11 ' C' ' 464' ' ' ILE . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 70' ' ' VAL . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -72.52 -43.42 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -90.3 127.68 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.268 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.0 123.81 21.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.917 0.389 . . . . 10.0 111.337 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.42 166.02 48.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.351 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.12 85.33 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 10.0 111.788 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.14 129.45 55.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.734 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.13 92.66 0.81 Allowed 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.754 2.302 . . . . 10.0 111.78 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.806 -1.093 . . . . 10.0 109.587 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HB3' HD21 ' A' ' 50' ' ' LEU . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -98.36 154.03 18.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.72 166.39 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 15.3 mmt180 -101.35 -18.89 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 10.0 110.594 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.41 149.88 19.03 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.499 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.255 -1.303 . . . . 10.0 111.727 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.448 0.166 . . . . 10.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 64.54 24.59 13.09 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.693 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.25 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.296 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -67.12 -37.3 83.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.058 0.456 . . . . 10.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.48 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.961 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.404 ' O ' HG23 ' C' ' 476' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 472' ' ' PRO . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' C' ' 482' ' ' LEU . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.502 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 -57.71 -52.41 65.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -92.9 113.67 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.82 110.22 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 10.0 110.506 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.8 156.53 45.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.067 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.7 102.74 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.738 2.292 . . . . 10.0 112.46 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.76 128.73 28.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.652 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -66.34 93.85 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.49 2.127 . . . . 10.0 112.135 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.212 -0.899 . . . . 10.0 109.518 179.388 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.818 ' HB3' HD21 ' A' ' 50' ' ' LEU . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.14 136.6 35.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.4 118.65 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.998 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -90.95 37.59 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.009 0.433 . . . . 10.0 110.783 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.07 106.58 0.3 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.137 -0.554 . . . . 10.0 111.742 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 119.134 -0.815 . . . . 10.0 111.236 179.78 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.554 0.216 . . . . 10.0 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.19 17.24 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.799 0.44 . . . . 10.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -49.66 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.335 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -62.76 -39.29 93.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 457' ' ' LEU . 12.9 mt -65.36 -40.9 94.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.653 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.507 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 474' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.41 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.467 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.467 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -26.88 33.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.36 133.95 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.542 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -68.25 105.6 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.06 0.457 . . . . 10.0 111.309 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.63 161.54 63.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.232 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.285 1.99 . . . . 10.0 112.155 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -120.2 131.27 24.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.885 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.46 100.09 0.39 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.628 2.219 . . . . 10.0 112.085 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.254 1.31 0 CA-C-O 117.775 -1.107 . . . . 10.0 109.765 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 ' HG3' ' C' ' 467' ' ' MET . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 45' ' ' PHE . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 -86.77 157.05 19.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -135.53 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.903 0.382 . . . . 10.0 110.665 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -101.09 -9.48 21.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.145 0.498 . . . . 10.0 110.0 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.22 166.34 17.26 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.417 -0.811 . . . . 10.0 111.439 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.272 -1.293 . . . . 10.0 111.537 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.558 0.218 . . . . 10.0 111.095 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.98 19.88 11.97 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.706 0.402 . . . . 10.0 111.775 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.25 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 10.0 111.007 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -72.66 -34.49 67.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.418 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.27 -42.71 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.364 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 459' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.544 ' HG3' HD23 ' A' ' 8' ' ' LEU . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.44 HG12 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.437 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.437 HG23 ' HB3' ' C' ' 479' ' ' ASP . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.451 ' OE1' ' HA ' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.78 -48.07 34.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.39 117.95 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.225 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -64.12 115.4 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.756 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.78 159.5 83.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.316 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.93 102.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.808 2.339 . . . . 10.0 112.596 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.457 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 53.5 t80 -92.04 138.6 24.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.341 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 503' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 37.8 Cg_endo -69.26 73.66 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.979 2.453 . . . . 10.0 112.954 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.272 -0.87 . . . . 10.0 109.501 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' HG3' ' C' ' 467' ' ' MET . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -96.66 148.04 23.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.19 160.85 22.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 74' ' ' ARG . 13.2 mmt85 -116.89 12.33 14.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.569 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.6 146.57 10.76 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.157 -0.777 . . . . 10.0 111.157 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.106 -1.385 . . . . 10.0 111.723 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.531 0.205 . . . . 10.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.414 ' OD1' HD12 ' C' ' 457' ' ' LEU . 94.9 m-20 59.81 29.73 19.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.797 0.439 . . . . 10.0 110.624 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -55.41 28.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.571 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.6 -34.11 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.049 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' C' ' 454' ' ' ASN . 56.5 mt -65.43 -35.18 80.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.487 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.427 ' HG3' HD23 ' A' ' 8' ' ' LEU . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.43 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.416 HD12 ' HG2' ' C' ' 472' ' ' PRO . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.43 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.468 ' HB3' HG23 ' C' ' 489' ' ' THR . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.412 HD12 HD22 ' C' ' 457' ' ' LEU . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.523 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.587 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.73 -51.28 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.453 HD13 HG12 ' C' ' 493' ' ' ILE . 3.4 mp -95.11 122.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.173 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.12 135.84 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.312 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 8.9 m -86.36 155.86 56.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.62 104.24 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.41 2.074 . . . . 10.0 111.748 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.14 136.96 20.44 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.925 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.97 101.61 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.432 2.088 . . . . 10.0 111.78 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.255 -0.878 . . . . 10.0 110.124 -179.711 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' A' ' 50' ' ' LEU . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 43' ' ' LEU . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 44.6 m80 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.62 0.247 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.457 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.454 ' HB3' HG23 ' C' ' 489' ' ' THR . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.454 HG23 ' HB3' ' C' ' 479' ' ' ASP . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 15' ' ' LEU . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 5' ' ' VAL . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.637 0.256 . . . . 10.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.467 ' O ' HG12 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.812 ' HB3' HG23 ' C' ' 489' ' ' THR . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.733 HD22 HG21 ' C' ' 489' ' ' THR . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.812 HG23 ' HB3' ' C' ' 479' ' ' ASP . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.522 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' A' ' 69' ' ' LEU . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD11 HG12 ' A' ' 30' ' ' ILE . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG12 HD11 ' A' ' 15' ' ' LEU . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HG2' HD11 ' A' ' 69' ' ' LEU . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.776 ' HB3' HD21 ' A' ' 50' ' ' LEU . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 41' ' ' GLN . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 ' HB ' ' C' ' 490' ' ' THR . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.742 0.306 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 475' ' ' LEU . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.602 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.602 HG23 ' HB3' ' C' ' 479' ' ' ASP . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.456 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.405 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 70' ' ' VAL . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 31.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.444 ' O ' HG12 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.444 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 475' ' ' LEU . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.642 ' HB3' HG23 ' C' ' 489' ' ' THR . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.642 HG23 ' HB3' ' C' ' 479' ' ' ASP . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 487' ' ' GLU . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' C' ' 490' ' ' THR . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.54 0.21 . . . . 10.0 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.2 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.51 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.488 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.519 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.51 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD21 HG21 ' C' ' 490' ' ' THR . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.691 ' HB3' HD21 ' A' ' 50' ' ' LEU . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 46.7 m80 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG13 ' HB ' ' C' ' 490' ' ' THR . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.574 0.226 . . . . 10.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.574 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.413 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.413 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.568 HD21 HG21 ' C' ' 490' ' ' THR . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 57.7 m80 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 . . . . . 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.482 ' O ' HG12 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.482 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.429 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.568 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.429 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.788 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 49.4 m80 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' C' ' 490' ' ' THR . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.72 0.295 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.449 HD11 HG12 ' C' ' 486' ' ' VAL . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.458 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.548 ' O ' HG12 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.548 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.472 ' HG2' HD12 ' C' ' 475' ' ' LEU . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' C' ' 472' ' ' PRO . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 5.4 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' C' ' 482' ' ' LEU . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.449 HG12 HD11 ' C' ' 464' ' ' ILE . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.448 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.448 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' GLN . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.9 m80 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.436 0.16 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . 0.558 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' C' ' 489' ' ' THR . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . 0.557 ' HB ' HD12 ' C' ' 488' ' ' ILE . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.557 HD12 ' HB ' ' C' ' 483' ' ' THR . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.555 HG23 ' HB3' ' C' ' 479' ' ' ASP . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.469 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.503 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.503 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 53.2 m80 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 7' ' ' THR . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG13 ' HB ' ' C' ' 490' ' ' THR . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.704 0.288 . . . . 10.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.409 HD11 HG12 ' C' ' 486' ' ' VAL . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.409 HG12 HD11 ' C' ' 464' ' ' ILE . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.443 HG23 ' HB3' ' C' ' 479' ' ' ASP . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.569 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 37.9 m80 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.676 0.274 . . . . 10.0 111.07 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.512 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.524 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.524 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' HD22 ' C' ' 494' ' ' LEU . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 43' ' ' LEU . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.872 0.368 . . . . 10.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.3 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' C' ' 479' ' ' ASP . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.437 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD21 HG21 ' C' ' 490' ' ' THR . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.539 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.524 0.202 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.417 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.513 ' HG2' HD12 ' C' ' 475' ' ' LEU . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.513 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' C' ' 478' ' ' GLN . 0.2 OUTLIER -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.563 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.404 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . 0.496 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.563 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' THR . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.423 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 2.8 ttt180 . . . . . 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.48 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.466 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.466 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.541 HG23 ' HB3' ' C' ' 479' ' ' ASP . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.413 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 15' ' ' LEU . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 5' ' ' VAL . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.704 0.288 . . . . 10.0 110.673 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.437 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.49 ' HG2' HD12 ' C' ' 475' ' ' LEU . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' C' ' 472' ' ' PRO . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' C' ' 489' ' ' THR . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.487 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.613 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.487 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 497' ' ' ARG . 1.3 tpp180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 30' ' ' ILE . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 15' ' ' LEU . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 34' ' ' GLU . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.6 m80 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG13 ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.415 HD11 HG12 ' C' ' 486' ' ' VAL . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.518 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.415 HG12 HD11 ' C' ' 464' ' ' ILE . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 70' ' ' VAL . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 12.0 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HB3' HD21 ' A' ' 50' ' ' LEU . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.404 ' O ' HG23 ' C' ' 476' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 472' ' ' PRO . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' C' ' 482' ' ' LEU . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.502 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.818 ' HB3' HD21 ' A' ' 50' ' ' LEU . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 457' ' ' LEU . 12.9 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.603 0.239 . . . . 10.0 110.653 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.507 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.41 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.467 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.467 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 ' HG3' ' C' ' 467' ' ' MET . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 45' ' ' PHE . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 48.4 m80 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.703 0.287 . . . . 10.0 110.364 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.44 HG12 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.437 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.437 HG23 ' HB3' ' C' ' 479' ' ' ASP . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' HG3' ' C' ' 467' ' ' MET . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . 0.412 HD22 HD12 ' C' ' 480' ' ' LEU . 56.5 mt . . . . . 0 CA--C 1.524 -0.052 0 CA-C-O 120.776 0.322 . . . . 10.0 110.487 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.427 ' HG3' HD23 ' A' ' 8' ' ' LEU . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.43 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.416 HD12 ' HG2' ' C' ' 472' ' ' PRO . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.43 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.468 ' HB3' HG23 ' C' ' 489' ' ' THR . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.412 HD12 HD22 ' C' ' 457' ' ' LEU . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.523 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.587 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.661 0.267 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -101.1 143.01 31.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.667 0.27 . . . . 10.0 111.32 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -132.71 167.63 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.01 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -116.43 120.48 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.819 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -99.0 120.91 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 10.0 110.057 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -97.77 135.63 39.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.205 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 p -118.38 160.94 20.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.72 -14.81 62.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -14.11 44.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.967 0.413 . . . . 10.0 111.49 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.06 46.31 4.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.678 -0.772 . . . . 10.0 111.629 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -128.96 114.2 16.14 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -90.07 104.96 17.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.118 0.485 . . . . 10.0 110.704 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.46 131.63 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.581 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.96 114.31 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -123.04 156.88 33.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.959 0.409 . . . . 10.0 110.787 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -104.46 125.08 50.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.45 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.73 179.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.12 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.5 mm-40 -132.21 152.79 80.77 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.79 -31.89 43.87 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.755 2.303 . . . . 10.0 113.12 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -87.55 7.24 30.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.115 0.413 . . . . 10.0 112.115 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.89 146.87 33.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -89.73 144.61 25.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.533 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.4 mm -53.51 -41.22 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.091 0.472 . . . . 10.0 110.771 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.0 -42.24 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.9 -38.44 86.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 60.9 t -61.3 -43.72 97.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.923 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -64.57 -34.55 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.366 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.2 85.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.135 0.493 . . . . 10.0 109.951 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.87 -35.57 80.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.7 mt -71.22 -37.54 66.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.086 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.94 -31.47 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.215 0.531 . . . . 10.0 110.394 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -72.61 -28.37 62.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.023 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -90.83 -51.81 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.08 -34.69 19.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.94 -10.29 60.32 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.619 -0.8 . . . . 10.0 112.446 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 46.5 mt -78.5 125.04 85.25 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.922 -0.164 . . . . 10.0 110.795 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -57.54 143.38 94.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.747 2.298 . . . . 10.0 112.391 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -59.87 -18.5 49.76 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.072 2.515 . . . . 10.0 112.923 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -30.06 69.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.992 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -101.97 9.42 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.174 0.512 . . . . 10.0 110.17 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -99.46 112.39 24.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.151 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -105.73 100.73 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.0 mt -82.96 125.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 10.0 111.237 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.169 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' A' ' 50' ' ' LEU . 37.6 t80 -133.14 115.66 15.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.07 18.79 11.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.394 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 -7.15 55.99 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.938 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -103.35 149.6 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.655 -0.32 . . . . 10.0 110.363 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.45 143.39 31.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.902 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 43' ' ' LEU . 33.2 mt -102.53 121.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.917 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 97.4 mt-10 -77.92 147.53 34.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.34 -52.5 58.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.182 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.19 51.9 4.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.996 -0.621 . . . . 10.0 114.131 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 38.5 mmt180 -136.79 153.85 50.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.83 -0.804 . . . . 10.0 108.83 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 82.7 p -103.08 164.9 11.34 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.851 -0.34 . . . . 10.0 110.246 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 18' ' ' GLU . 60.6 mt -63.49 -26.11 68.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.866 0.365 . . . . 10.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -75.83 -20.66 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.2 m-20 -63.0 -49.61 74.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.022 0.439 . . . . 10.0 110.71 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -89.95 2.92 54.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.725 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 62.21 54.48 2.63 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.753 0.787 . . . . 10.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -90.03 108.2 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.479 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.81 -172.27 3.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.9 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -78.15 149.87 33.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.459 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 69.03 16.96 8.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.659 -0.7 . . . . 10.0 111.794 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -80.74 154.88 27.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.716 0.293 . . . . 10.0 110.376 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -102.31 124.83 48.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.818 0.342 . . . . 10.0 111.263 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.14 130.69 55.55 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 44.6 m80 -93.16 124.24 37.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.822 0.344 . . . . 10.0 110.86 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.8 tp -106.65 105.65 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.199 0.523 . . . . 10.0 110.78 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -95.38 134.89 31.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.205 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -91.02 146.21 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -109.91 128.86 55.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.738 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' HB2' HG12 ' C' ' 488' ' ' ILE . 3.4 mp -142.76 116.58 9.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.84 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -86.51 14.94 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.84 -143.94 8.12 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.081 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.895 0 CA-C-O 119.029 -0.873 . . . . 10.0 111.029 -179.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.583 0.23 . . . . 10.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 65.38 16.7 10.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.951 0.5 . . . . 10.0 111.193 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -55.4 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 10.0 111.498 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -74.26 -36.55 63.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.594 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.79 -50.12 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.358 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -64.14 -39.4 93.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.316 . . . . 10.0 110.936 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.15 98.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.341 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . 0.414 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 59.7 mtm -66.41 -41.2 89.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.475 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.094 0.473 . . . . 10.0 110.034 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -65.19 -33.61 76.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.189 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -64.31 -36.97 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.55 -36.44 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.088 0.471 . . . . 10.0 110.003 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.28 -25.49 68.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.494 0.664 . . . . 10.0 109.871 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.78 -0.94 55.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.862 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.457 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 46.9 mmm -112.89 -40.82 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.755 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -117.52 87.27 25.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.91 36.03 0.59 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.264 2.643 . . . . 10.0 112.917 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.31 -3.51 1.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.531 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.3 p -104.74 133.26 20.26 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.594 0.235 . . . . 10.0 110.446 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.5 Cg_exo -60.18 132.25 43.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.318 2.012 . . . . 10.0 112.044 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.43 -39.17 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.856 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -66.68 -24.0 66.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.706 0.261 . . . . 10.0 111.706 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.8 mt -83.1 -25.14 32.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 10.0 110.138 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.24 -45.36 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.261 0.553 . . . . 10.0 109.764 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.94 -18.83 65.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.374 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.51 -58.2 9.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.352 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.454 ' HB3' HG23 ' C' ' 489' ' ' THR . 38.8 t70 -79.18 -19.42 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 10.0 111.17 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.63 -19.94 64.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.196 0.522 . . . . 10.0 110.222 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -92.81 -18.15 23.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.245 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.27 -74.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.94 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 60.9 p -74.13 -36.33 64.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.785 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 63.26 24.92 14.53 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.9 t -133.32 109.06 9.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.2 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' C' ' 460' ' ' MET . 17.3 m -51.31 -32.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 10.0 112.077 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.57 -58.68 5.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.782 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 73' ' ' LEU . 21.9 mt -63.21 -31.98 54.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.952 0.405 . . . . 10.0 110.982 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.454 HG23 ' HB3' ' C' ' 479' ' ' ASP . 79.6 m -65.39 -59.82 3.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.506 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -60.17 -34.93 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.003 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -64.23 -49.5 71.7 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.87 -37.31 86.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.714 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.45 -43.8 94.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.316 -0.857 . . . . 10.0 111.189 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -88.29 -9.88 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.205 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 98.69 17.5 28.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.758 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -69.59 -35.47 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.478 0.656 . . . . 10.0 109.403 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.58 131.16 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.218 -1.03 . . . . 10.0 108.218 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -67.69 99.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.988 0.423 . . . . 10.0 111.239 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -63.5 154.26 80.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 105.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.675 2.25 . . . . 10.0 112.535 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -115.69 121.78 33.8 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.081 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -65.13 119.15 6.12 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.362 2.041 . . . . 10.0 111.886 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.219 -0.896 . . . . 10.0 109.769 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.763 0.316 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -107.24 142.83 36.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.807 0.337 . . . . 10.0 111.152 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.1 pt -127.15 161.56 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 66' ' ' THR . 92.3 m-85 -117.42 100.05 7.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.014 0.435 . . . . 10.0 110.982 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 HD12 ' A' ' 15' ' ' LEU . 24.9 t -90.9 128.9 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -111.17 140.23 45.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.054 0.454 . . . . 10.0 110.872 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.6 p -101.43 169.86 8.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.766 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.94 8.88 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.268 0.556 . . . . 10.0 110.251 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.56 -0.11 30.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.361 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.26 33.52 35.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.1 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -112.15 140.72 46.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 10.0 110.606 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 m -109.63 114.32 27.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.321 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 mt -105.63 119.47 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.931 0.396 . . . . 10.0 111.136 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -90.5 106.12 18.28 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 5' ' ' VAL . 93.3 mt -107.19 145.84 32.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.004 0.431 . . . . 10.0 111.573 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -96.39 118.45 32.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.585 -0.734 . . . . 10.0 109.696 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 5.3 m -143.75 159.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.841 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 35.6 mm-40 -113.08 162.55 21.35 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.07 -27.94 57.86 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.28 1.986 . . . . 10.0 112.687 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.1 11.93 28.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -73.62 113.6 10.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 142.74 58.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.189 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.7 mm -55.39 -37.05 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.683 0.278 . . . . 10.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.34 -33.44 73.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.825 0.345 . . . . 10.0 110.681 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.28 -35.08 75.68 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.719 -0.475 . . . . 10.0 109.719 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.29 -39.76 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.875 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.5 mmmm -59.43 -39.01 82.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.732 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.75 -40.56 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -62.64 -39.22 93.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.79 -38.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 10.0 110.166 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.78 -32.22 73.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.19 -41.83 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.589 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -86.46 -66.43 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.104 0.409 . . . . 10.0 112.104 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -64.43 -33.18 75.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.76 80.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.048 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.2 126.3 88.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.803 -0.199 . . . . 10.0 110.49 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.4 Cg_exo -53.18 137.42 63.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.892 2.395 . . . . 10.0 112.12 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 49.0 Cg_exo -55.74 -33.64 88.39 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.928 2.419 . . . . 10.0 113.218 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -77.62 -2.14 34.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 10.0 111.519 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.77 5.48 19.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.151 0.501 . . . . 10.0 109.888 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -103.59 116.54 32.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.57 -0.741 . . . . 10.0 111.378 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 15.7 mtp180 -111.83 103.66 11.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.4 mt -89.74 130.3 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.233 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -129.18 140.1 50.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.765 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.1 t80 -142.86 131.77 22.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.29 23.24 13.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.207 0.527 . . . . 10.0 111.016 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.0 17.37 67.54 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.762 -0.654 . . . . 10.0 113.139 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -130.95 145.6 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.793 0.296 . . . . 10.0 110.597 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -79.44 141.1 37.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.8 mt -90.73 121.76 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.498 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -77.44 136.56 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.932 0.396 . . . . 10.0 110.027 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -52.43 -34.89 50.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -177.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.37 22.33 10.76 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.734 -0.746 . . . . 10.0 114.081 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -118.44 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.225 0.513 . . . . 10.0 111.043 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.9 p -111.56 167.88 9.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.337 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.93 -30.98 72.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.833 0.349 . . . . 10.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -71.81 -19.7 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.897 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -71.19 -20.64 62.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.953 0.406 . . . . 10.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -114.17 9.99 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.926 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 54.81 39.94 31.69 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.112 -0.949 . . . . 10.0 111.409 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -79.47 119.22 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.163 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.83 -175.2 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.367 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -80.97 154.47 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 57.61 39.29 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.482 0.658 . . . . 10.0 111.389 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -102.31 148.42 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.064 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.0 m -89.03 123.66 33.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.17 143.06 35.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.534 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 21.4 m80 -99.73 129.67 45.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.017 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -117.54 111.37 19.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.651 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 67.6 t -96.32 133.12 38.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.997 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.8 mt -99.41 120.89 40.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 10.0 110.434 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 32.3 ttt180 -90.42 144.7 25.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.532 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.7 mp -143.03 -170.6 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 10.0 110.81 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -138.5 -56.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 90.28 0.64 Allowed Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.901 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.96 -1.467 . . . . 10.0 110.999 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.514 0.197 . . . . 10.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 59.48 33.97 22.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.647 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -47.38 71.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.955 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.12 -40.27 94.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.34 -41.8 98.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.459 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -47.69 80.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.383 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.41 93.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.188 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.59 -37.85 87.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.714 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.72 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.411 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.14 -38.38 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.735 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' C' ' 467' ' ' MET . 28.3 tp60 -63.58 -42.52 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.62 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.06 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.188 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.79 -24.03 67.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.242 0.544 . . . . 10.0 110.59 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.59 -20.53 39.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.935 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 68.8 mmm -92.51 -43.36 9.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.954 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.467 ' O ' HG12 ' C' ' 471' ' ' VAL . 10.3 m-85 -120.59 82.74 33.8 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.709 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.46 29.07 0.49 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.147 2.564 . . . . 10.0 112.115 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -133.66 21.47 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.863 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 468' ' ' PHE . 9.7 p -130.38 131.92 23.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.835 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.78 124.17 15.19 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.572 2.181 . . . . 10.0 112.6 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -52.57 -39.05 61.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.565 -0.743 . . . . 10.0 112.328 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.24 -26.14 66.43 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.693 0.257 . . . . 10.0 111.693 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.76 -33.18 46.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.69 -44.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.19 -30.08 71.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.524 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -48.64 75.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.812 ' HB3' HG23 ' C' ' 489' ' ' THR . 3.7 t70 -74.17 -28.09 61.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.719 0.295 . . . . 10.0 110.377 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.733 HD22 HG21 ' C' ' 489' ' ' THR . 0.2 OUTLIER -59.81 -30.43 68.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.227 0.537 . . . . 10.0 110.262 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -88.88 -8.07 54.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.66 -61.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.728 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 5.8 p -80.51 -35.94 33.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 28.7 mtt-85 61.85 30.35 18.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.357 0.599 . . . . 10.0 111.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.6 t -150.22 105.6 3.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.432 -0.804 . . . . 10.0 108.999 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.41 -36.85 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -58.82 -58.44 8.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.0 mt -70.23 -30.08 42.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.846 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.812 HG23 ' HB3' ' C' ' 479' ' ' ASP . 40.4 m -63.7 -46.63 84.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 6.2 m -71.43 -36.1 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.196 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.522 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 32.4 t70 -64.35 -41.95 96.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.58 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -53.29 -34.3 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.337 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.76 -44.34 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.044 0.449 . . . . 10.0 110.006 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.32 -35.55 71.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.85 -46.91 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.943 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.29 20.91 1.73 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.585 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -80.59 -53.82 6.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.24 131.23 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.729 -0.668 . . . . 10.0 109.463 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -75.19 99.23 3.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.881 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.07 153.15 85.98 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.66 122.87 12.56 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.805 2.336 . . . . 10.0 112.274 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.29 144.75 44.52 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.175 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -71.28 76.65 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.264 1.976 . . . . 10.0 112.094 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.383 -0.818 . . . . 10.0 109.964 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -99.73 134.66 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 111.372 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -127.41 154.14 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -115.72 119.38 35.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.775 0.321 . . . . 10.0 110.401 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 t -101.48 119.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -93.66 134.16 36.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.205 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' A' ' 69' ' ' LEU . 24.0 p -111.88 170.13 8.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.287 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.79 -18.05 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.99 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -3.08 58.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.119 0.485 . . . . 10.0 110.679 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.9 23.39 61.88 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.92 -0.657 . . . . 10.0 111.881 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -104.82 126.38 51.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.664 0.269 . . . . 10.0 110.426 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -94.17 109.24 21.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.899 0.38 . . . . 10.0 110.303 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mt -88.46 119.39 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.535 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -84.54 126.93 33.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.822 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD11 HG12 ' A' ' 30' ' ' ILE . 43.0 mt -129.6 139.65 51.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.187 0.518 . . . . 10.0 111.438 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.98 105.08 15.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.136 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 1' ' ' MET . 24.6 m -136.37 152.81 30.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.562 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -104.69 158.22 32.46 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -56.32 -30.18 79.74 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.627 2.218 . . . . 10.0 113.0 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -0.4 28.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.55 . . . . 10.0 112.369 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -80.55 159.83 25.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.094 0.474 . . . . 10.0 111.009 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.49 145.12 30.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.63 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 54' ' ' ARG . 46.6 mm -53.97 -39.89 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.808 0.337 . . . . 10.0 111.125 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.782 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -67.28 -34.46 77.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.611 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.1 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -61.97 -39.33 91.8 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.306 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.54 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.489 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -66.42 -34.76 78.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.606 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG12 HD11 ' A' ' 15' ' ' LEU . 82.3 mt -70.23 -36.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.343 0.592 . . . . 10.0 109.515 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -66.97 -25.3 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.398 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -70.66 -28.76 65.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.978 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -85.49 -39.64 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.09 10.3 59.86 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.712 -0.756 . . . . 10.0 112.569 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.8 mt -80.21 125.29 81.72 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 110.739 -0.097 . . . . 10.0 110.739 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 36.5 Cg_exo -57.56 137.07 79.6 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.829 2.352 . . . . 10.0 112.415 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.53 -26.08 77.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.051 2.501 . . . . 10.0 113.762 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.938 0.399 . . . . 10.0 111.503 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.85 20.71 18.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.286 0.565 . . . . 10.0 109.908 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HG2' HD11 ' A' ' 69' ' ' LEU . 2.4 tt0 -109.4 108.63 19.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 10.0 110.345 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -110.77 122.71 48.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.349 . . . . 10.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.47 123.0 46.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.9 137.11 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.115 0.483 . . . . 10.0 111.069 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.776 ' HB3' HD21 ' A' ' 50' ' ' LEU . 92.4 t80 -135.2 128.96 32.98 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.159 -0.682 . . . . 10.0 109.159 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.39 13.14 7.84 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.94 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.95 0.68 55.01 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.693 -0.765 . . . . 10.0 113.196 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -123.21 147.76 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.667 0.234 . . . . 10.0 110.461 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -79.12 142.26 36.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 10.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.2 mt -90.23 152.41 21.08 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.445 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.7 mt-10 -94.18 142.85 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.06 -32.55 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.481 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.77 40.3 2.8 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.293 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.3 mmt180 -136.35 162.22 33.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.3 p -105.7 170.31 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.754 0.312 . . . . 10.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.72 -29.47 68.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.385 0.612 . . . . 10.0 109.904 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -24.02 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.412 -0.813 . . . . 10.0 111.058 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.06 -19.33 63.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.232 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' HB2' HG13 ' A' ' 61' ' ' ILE . 78.1 m-85 -118.07 13.26 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.67 0.271 . . . . 10.0 110.813 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.59 32.73 20.44 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 59' ' ' TYR . 64.6 mt -76.61 111.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.096 0.474 . . . . 10.0 110.566 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -95.19 -175.15 3.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.195 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -76.28 152.88 36.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.915 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 67.06 31.53 6.8 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 10.0 111.409 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -97.58 146.33 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.168 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -99.32 128.19 45.41 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.04 147.21 35.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.85 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -99.85 124.33 45.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.716 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' A' ' 41' ' ' GLN . 34.7 tp -102.89 101.36 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.18 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG13 ' HB ' ' C' ' 490' ' ' THR . 69.3 t -95.59 132.82 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.97 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.89 163.63 16.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -137.95 133.13 33.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.905 0.383 . . . . 10.0 110.84 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' HB2' HG12 ' C' ' 488' ' ' ILE . 5.2 mp -141.52 118.1 10.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.789 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -86.7 -2.97 58.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.625 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.99 101.34 0.94 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.275 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 CA-C-O 118.162 -1.354 . . . . 10.0 111.283 179.507 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.63 0.252 . . . . 10.0 111.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 66.22 16.56 10.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.203 0.601 . . . . 10.0 111.434 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.302 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -75.97 -40.44 53.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 10.0 110.304 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.41 -40.19 96.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.574 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.42 -45.82 92.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.92 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.62 85.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.072 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.34 -38.02 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.24 86.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.532 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -62.16 -36.85 83.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.135 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.69 -41.87 91.7 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.2 -44.45 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.707 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -59.5 -28.87 67.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.191 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.74 -34.5 78.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.933 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 74.5 mtm -94.4 -37.24 11.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.821 0.343 . . . . 10.0 110.893 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -118.11 86.63 26.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -88.03 10.96 3.26 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.401 2.067 . . . . 10.0 111.639 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -99.03 15.44 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.64 134.27 25.27 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.085 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 50.5 Cg_exo -54.49 131.73 47.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.649 2.232 . . . . 10.0 112.31 178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -56.24 -39.72 73.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.925 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 32.4 p-80 -66.57 -26.85 67.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.556 0.217 . . . . 10.0 111.49 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 475' ' ' LEU . 19.9 mt -75.1 -32.49 61.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 35.9 t -68.19 -44.28 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.78 -29.69 70.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.614 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -46.44 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.54 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.602 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.0 t70 -74.22 -34.6 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.463 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -30.35 68.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.222 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -88.96 0.19 56.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.079 0.466 . . . . 10.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.46 -55.1 2.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.7 p -88.6 -36.54 16.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 66.72 25.76 9.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.8 113.8 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.133 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.9 m -59.27 -23.79 25.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.72 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -65.59 -27.62 68.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.4 HG12 ' HB2' ' A' ' 73' ' ' LEU . 16.1 mt -98.72 -31.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.602 HG23 ' HB3' ' C' ' 479' ' ' ASP . 57.3 m -60.59 -55.81 28.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.657 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.456 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -59.76 -36.3 76.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.105 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 34.1 t70 -68.93 -44.15 73.68 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -53.94 -39.24 65.72 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.117 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.405 HG13 ' O ' ' C' ' 489' ' ' THR . 65.7 mt -66.23 -41.74 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.432 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 70' ' ' VAL . 34.8 mt -69.45 -38.19 77.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.926 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.7 mm-40 -67.14 -52.41 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.02 0.438 . . . . 10.0 110.813 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 133.42 28.41 0.53 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.614 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -85.16 -33.24 22.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.166 0.507 . . . . 10.0 109.681 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.57 131.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -73.48 98.6 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.209 0.528 . . . . 10.0 110.903 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 21.6 m -69.94 164.18 54.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.369 -0.832 . . . . 10.0 110.386 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 74.1 Cg_exo -49.12 116.64 2.33 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.642 2.228 . . . . 10.0 112.27 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -116.57 129.48 25.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.813 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.53 111.82 2.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.414 2.076 . . . . 10.0 111.791 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.721 -1.133 . . . . 10.0 109.255 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.857 0.36 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -92.05 139.2 30.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.142 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -126.85 160.13 35.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.125 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 90.6 m-85 -114.31 110.35 19.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 10.0 111.016 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.785 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -92.45 134.65 34.75 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.048 0.451 . . . . 10.0 110.652 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 38.5 p -105.28 164.69 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.77 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.17 -6.88 19.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.605 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.86 1.64 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.124 0.488 . . . . 10.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.68 -4.2 85.91 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.01 -0.614 . . . . 10.0 112.709 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.9 132.66 34.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.344 -0.243 . . . . 10.0 110.344 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -113.2 111.34 21.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -88.28 139.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.975 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.75 122.56 48.12 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.48 151.17 50.39 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.342 0.497 . . . . 10.0 112.342 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.63 115.46 27.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.153 -0.93 . . . . 10.0 109.134 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.42 158.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.751 0.31 . . . . 10.0 111.125 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 mm-40 -109.83 159.53 31.4 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.711 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.03 -28.45 83.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.39 2.06 . . . . 10.0 112.535 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.6 6.23 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.626 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -81.17 131.57 35.3 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.3 p -85.24 155.27 21.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.135 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.71 -31.41 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 10.0 109.906 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.4 -44.67 95.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.536 -0.757 . . . . 10.0 110.023 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -73.06 -35.31 66.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.627 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' THR . 85.6 t -60.25 -44.11 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.4 -36.79 85.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.515 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.85 82.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.27 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.7 -39.73 88.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.586 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.77 -34.32 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.297 0.57 . . . . 10.0 109.904 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 38.6 tt0 -67.44 -24.75 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.477 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.91 -31.04 20.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.311 0.577 . . . . 10.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -84.13 -55.95 3.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.932 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.09 -39.54 14.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.448 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 98.16 5.4 57.22 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.535 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.67 128.7 86.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.574 -0.313 . . . . 10.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.2 Cg_exo -57.5 130.75 40.61 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.678 2.252 . . . . 10.0 111.749 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.5 Cg_exo -61.69 -18.28 59.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.862 2.375 . . . . 10.0 112.524 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -28.0 64.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.65 8.21 35.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.915 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -91.28 95.5 10.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.404 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 12.5 mtp180 -98.86 100.43 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.477 -0.934 . . . . 10.0 108.477 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.29 127.01 35.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.211 0.529 . . . . 10.0 111.512 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.73 135.37 61.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.004 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.7 t80 -128.45 114.6 17.01 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.51 21.83 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.655 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.72 -10.62 57.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.791 -0.718 . . . . 10.0 113.046 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -101.58 138.51 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.88 0.34 . . . . 10.0 110.836 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -77.44 140.47 39.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.0 mt -94.08 133.14 37.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.3 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.79 149.56 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.3 81.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 10.0 112.285 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 47.43 3.83 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.106 -0.497 . . . . 10.0 113.865 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.46 158.23 44.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.256 -0.646 . . . . 10.0 109.256 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 43.0 p -102.84 173.55 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.614 -0.266 . . . . 10.0 110.318 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 74.2 mt -66.86 -36.58 82.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.045 0.45 . . . . 10.0 110.413 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -70.96 -14.28 62.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.809 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -69.68 -23.66 63.48 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.002 0.43 . . . . 10.0 110.602 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -115.8 13.39 16.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.51 31.46 20.28 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.588 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.1 mt -74.18 122.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.35 -168.61 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.594 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.47 149.08 33.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.262 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 66.21 12.42 8.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.957 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.0 m -74.24 147.98 41.95 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -99.94 121.15 40.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.848 0.356 . . . . 10.0 111.581 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.28 143.45 32.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -103.85 121.2 42.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.911 0.386 . . . . 10.0 111.15 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 55.5 tp -99.74 112.84 25.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.409 . . . . 10.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.23 142.59 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.88 179.66 5.02 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 31.3 ttt180 -151.17 144.71 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.643 -0.253 . . . . 10.0 110.626 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.33 162.11 29.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.183 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -117.44 6.27 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.796 0.331 . . . . 10.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.38 126.96 1.95 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.551 -0.833 . . . . 10.0 112.356 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.837 -1.535 . . . . 10.0 110.939 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.572 -0.159 . . . . 10.0 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 58.56 28.51 17.15 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.46 -0.337 . . . . 10.0 111.364 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -57.33 13.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.86 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.96 -30.7 70.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.308 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.4 mt -66.58 -44.09 83.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 10.0 110.056 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -63.11 -41.57 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.066 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.0 -37.17 83.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.86 -37.87 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.529 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -64.03 -34.41 77.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' C' ' 467' ' ' MET . 23.6 tp60 -63.3 -41.06 98.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.47 -37.14 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.188 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -60.62 -29.53 69.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.383 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.43 -21.44 55.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.88 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 41.5 mmm -90.71 -42.5 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.888 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.444 ' O ' HG12 ' C' ' 471' ' ' VAL . 3.3 m-85 -113.54 95.25 35.66 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.372 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.68 5.71 6.23 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.523 2.149 . . . . 10.0 112.81 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.5 pm0 -108.25 0.66 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.562 0.22 . . . . 10.0 111.567 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.444 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.5 p -107.11 134.28 19.95 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.714 0.292 . . . . 10.0 111.118 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 21.8 Cg_exo -66.26 137.43 47.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.387 2.058 . . . . 10.0 111.834 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -57.56 -37.55 73.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.856 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -67.04 -23.81 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.645 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 475' ' ' LEU . 20.1 mt -83.08 -31.66 27.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 10.0 110.015 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.3 t -68.56 -44.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.495 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.0 tt0 -64.56 -54.19 36.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.448 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.642 ' HB3' HG23 ' C' ' 489' ' ' THR . 9.0 t70 -69.61 -31.71 70.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.971 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.42 -30.0 69.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.162 0.506 . . . . 10.0 110.396 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -90.89 3.05 55.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.517 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.96 -59.9 1.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.33 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -90.16 -33.87 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.321 . . . . 10.0 110.902 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 63.85 28.88 14.71 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.6 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.3 t -141.71 118.61 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.78 -28.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 10.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -65.64 -42.65 91.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.891 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.1 mt -83.74 -36.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.007 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.642 HG23 ' HB3' ' C' ' 479' ' ' ASP . 64.3 m -60.56 -52.85 63.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.969 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.7 m -64.61 -34.84 79.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.998 0.428 . . . . 10.0 110.518 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -67.35 -42.52 83.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.956 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -55.13 -32.9 62.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.402 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.13 -40.23 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.432 . . . . 10.0 110.674 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.84 -39.81 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.66 -51.27 60.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.739 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.2 33.67 0.88 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.361 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.09 -20.91 29.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.669 0.747 . . . . 10.0 108.987 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 40.1 mt -116.42 127.46 74.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.885 -1.052 . . . . 10.0 109.001 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -61.88 122.82 16.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.047 0.451 . . . . 10.0 111.157 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.5 m -78.52 158.62 75.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.538 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.49 107.1 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.63 2.22 . . . . 10.0 112.202 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -123.42 125.86 25.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.974 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.68 121.66 9.28 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.377 2.051 . . . . 10.0 112.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.021 -179.849 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -110.78 142.91 42.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.79 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.52 160.08 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.7 m-85 -120.77 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.807 0.337 . . . . 10.0 110.376 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.05 121.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.89 138.12 41.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.962 0.411 . . . . 10.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 p -103.63 165.2 11.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.039 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 487' ' ' GLU . 37.9 mt -63.85 -20.32 65.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 10.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -9.06 59.88 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.208 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.16 65.85 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.877 -0.678 . . . . 10.0 113.04 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.98 127.06 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.615 -0.344 . . . . 10.0 110.322 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 m -106.13 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.904 0.383 . . . . 10.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -105.19 141.13 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.977 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -102.65 136.1 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.34 138.93 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.007 -0.277 . . . . 10.0 111.261 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -88.07 116.59 26.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.2 m -132.29 152.72 37.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.729 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.8 mm-40 -107.48 165.5 12.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.17 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.21 -25.57 78.61 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 121.886 1.724 . . . . 10.0 111.853 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.37 8.22 41.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.643 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.566 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -73.07 128.55 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 10.0 110.408 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.72 149.24 25.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -45.77 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.513 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -38.53 81.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.423 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 50.6 t30 -65.63 -39.56 91.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.446 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 59.5 t -64.36 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.355 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -63.54 -33.65 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.27 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.39 85.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.079 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.0 mttt -66.03 -36.97 84.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.862 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.1 mt -70.4 -36.74 67.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.892 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -64.6 -33.55 76.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.569 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.01 -30.46 61.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.159 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -86.19 -53.35 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -90.12 -33.58 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.82 38.41 7.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.356 -0.926 . . . . 10.0 111.758 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -109.8 127.97 26.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.74 130.39 38.79 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 10.0 112.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -56.46 -30.1 80.64 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.966 2.444 . . . . 10.0 112.78 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.42 -30.58 71.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.075 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -98.29 15.16 25.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.057 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.33 98.41 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -97.99 100.99 12.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.66 131.45 34.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.905 0.383 . . . . 10.0 110.992 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -127.53 141.66 45.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HB3' HD21 ' A' ' 50' ' ' LEU . 61.0 t80 -137.39 120.06 16.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.26 17.7 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.934 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.07 4.09 55.51 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.804 -0.712 . . . . 10.0 113.43 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -122.26 142.26 50.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.173 0.486 . . . . 10.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.96 145.26 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.14 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.5 mt -98.44 124.61 43.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.896 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.8 mt-10 -77.71 132.29 38.09 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.414 -0.587 . . . . 10.0 109.414 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.17 -39.76 57.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.21 39.65 2.99 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.908 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 26.4 mmt180 -132.32 169.47 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.08 0.44 . . . . 10.0 110.082 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.07 162.65 13.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.688 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.68 -30.65 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.289 0.566 . . . . 10.0 110.767 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -26.97 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.54 -0.754 . . . . 10.0 111.529 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -66.58 -25.09 66.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.559 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -109.71 10.78 24.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.017 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.18 30.32 19.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.711 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.16 115.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 10.0 109.987 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -95.89 -174.83 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.302 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -74.72 145.55 42.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.602 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 63.1 19.05 11.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 112.14 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.6 m -80.09 148.78 30.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.1 m -92.66 125.14 37.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.215 0.531 . . . . 10.0 111.658 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.86 140.32 39.87 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -101.31 122.94 44.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.684 0.278 . . . . 10.0 110.57 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.56 101.88 11.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 10.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' C' ' 490' ' ' THR . 81.9 t -92.94 126.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.532 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 81.6 mt -80.07 163.29 24.27 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 12.5 ttt180 -126.01 128.19 47.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.889 0.376 . . . . 10.0 110.992 -178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' C' ' 488' ' ' ILE . 4.2 mp -139.59 132.14 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.572 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -121.25 21.77 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.336 0.589 . . . . 10.0 110.213 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.52 82.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.477 -0.783 . . . . 10.0 111.268 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.599 -1.111 . . . . 10.0 112.419 -179.266 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.258 0.075 . . . . 10.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.42 19.53 6.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.948 0.499 . . . . 10.0 111.791 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -52.54 56.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.366 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -63.87 -41.25 97.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.084 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.48 -44.76 95.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.583 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.54 99.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.948 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.1 mtt -63.91 -46.91 82.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.6 91.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.74 -42.47 97.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.343 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -60.66 -40.75 93.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.242 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 74.5 mt -68.4 -44.0 83.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.309 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -61.32 -34.4 75.2 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.911 0.386 . . . . 10.0 111.747 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.4 -23.7 67.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.428 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 70.5 mtm -106.6 -40.75 5.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.799 0.333 . . . . 10.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.28 96.29 25.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.412 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -89.03 -3.99 6.1 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.736 2.291 . . . . 10.0 112.301 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' C' ' 501' ' ' PRO . 10.5 pt20 -87.67 -9.03 55.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.708 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.99 128.75 25.18 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 120.832 -0.347 . . . . 10.0 110.849 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 39.2 Cg_exo -61.35 136.65 65.26 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.692 2.261 . . . . 10.0 112.592 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.19 -43.98 71.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.488 -0.778 . . . . 10.0 112.37 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -63.9 -33.01 74.74 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 17.3 mt -71.29 -37.4 71.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 10.0 110.114 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 47.3 t -64.72 -47.62 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.946 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.34 -27.13 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 478' ' ' GLN . 5.2 tt0 -67.77 -54.36 19.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.14 -24.54 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.654 -0.248 . . . . 10.0 111.171 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -26.16 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.019 0.438 . . . . 10.0 110.52 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.5 -11.8 55.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.444 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.75 -58.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.717 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -74.33 -36.71 63.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.92 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 62.56 22.3 13.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.46 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.6 114.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.431 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 27.5 m -51.33 -30.1 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.3 mp0 -61.05 -34.88 75.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 73' ' ' LEU . 3.8 mt -92.12 -33.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.237 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.51 ' O ' HG13 ' C' ' 493' ' ' ILE . 4.3 m -59.44 -57.81 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.813 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.488 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -60.59 -37.08 80.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.298 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.519 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 7.7 t70 -65.93 -48.13 72.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.535 . . . . 10.0 110.221 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -29.08 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.51 HG13 ' O ' ' C' ' 489' ' ' THR . 85.3 mt -66.78 -44.51 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.901 -0.777 . . . . 10.0 108.901 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.82 -31.2 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.303 -0.862 . . . . 10.0 110.141 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -65.87 -42.18 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.907 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 121.94 20.56 3.07 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.682 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -76.47 -37.55 56.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.296 0.57 . . . . 10.0 109.901 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.414 HD13 HG12 ' C' ' 493' ' ' ILE . 4.1 mp -100.56 135.9 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 10.0 109.279 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -66.92 120.81 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.004 0.431 . . . . 10.0 110.815 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.421 HG22 ' H ' ' C' ' 500' ' ' VAL . 1.9 m -76.07 147.59 80.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.55 ' HG2' ' O ' ' C' ' 470' ' ' GLN . 44.9 Cg_exo -59.01 109.11 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.13 2.554 . . . . 10.0 113.231 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -134.3 133.44 21.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.458 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.32 116.04 2.93 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.804 2.336 . . . . 10.0 112.672 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.882 -0.58 . . . . 10.0 110.554 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -112.77 146.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.577 0.227 . . . . 10.0 111.044 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' THR . 18.4 pt -131.14 153.25 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -108.72 105.39 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 111.033 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.06 113.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -95.49 136.59 35.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.655 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.3 p -112.88 165.93 11.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.567 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD21 HG21 ' C' ' 490' ' ' THR . 22.7 mt -69.03 -16.41 63.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -10.14 57.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.785 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.33 -10.74 61.56 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.899 -0.592 . . . . 10.0 112.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -69.46 130.56 42.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 10.0 110.734 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -109.63 110.44 21.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.027 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.25 121.08 48.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.915 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 8.4 m -97.41 116.48 29.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.28 152.7 32.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 111.394 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -93.65 117.32 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.96 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -136.89 177.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.1 mm-40 -142.24 161.45 50.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.18 -28.48 51.84 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.719 2.279 . . . . 10.0 113.384 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -4.4 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.36 146.29 43.13 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.858 0.361 . . . . 10.0 110.512 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -99.03 151.46 20.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.019 -179.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.69 -41.52 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -58.96 -42.13 89.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.938 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -65.1 -37.04 86.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.602 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -63.83 -41.68 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.747 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -61.46 -38.62 87.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.469 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.09 -38.32 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.329 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 62.6 mt -68.71 -36.01 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -70.2 -29.34 66.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.981 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -72.86 -35.82 67.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.36 -48.15 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -89.41 -41.03 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.75 -11.49 45.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.423 -0.894 . . . . 10.0 111.963 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.77 121.84 79.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.188 . . . . 10.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.18 146.35 82.07 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.743 2.295 . . . . 10.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.44 -27.27 81.25 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.662 2.241 . . . . 10.0 112.319 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.33 -16.68 64.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.799 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -113.14 14.47 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.087 0.47 . . . . 10.0 110.4 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -109.93 109.9 20.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.116 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 30.8 mtp180 -109.67 99.09 8.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -85.58 115.83 23.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 10.0 111.487 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 2.1 mp -111.87 135.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.07 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.691 ' HB3' HD21 ' A' ' 50' ' ' LEU . 65.0 t80 -131.48 114.75 15.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.302 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.64 25.15 11.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.383 -0.826 . . . . 10.0 113.013 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.91 -21.2 25.59 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.306 -0.95 . . . . 10.0 114.639 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.04 152.62 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.678 0.739 . . . . 10.0 111.421 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 11.4 tt0 -82.53 149.51 27.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.984 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 45' ' ' PHE . 7.6 mt -98.04 138.97 34.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.125 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 51.9 mt-10 -86.08 146.65 26.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.36 -28.74 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.584 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.01 30.55 5.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 10.0 113.141 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 17.6 mmt180 -128.55 162.71 26.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.834 0.349 . . . . 10.0 110.403 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 72.8 p -105.42 170.4 7.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.012 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 96.2 mt -68.4 -27.67 66.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.973 0.416 . . . . 10.0 110.476 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 m -72.89 -24.25 60.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.672 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.1 m-20 -62.17 -34.92 77.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.253 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -104.09 11.93 34.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.234 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 56.94 41.52 27.66 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -80.08 126.25 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.009 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -106.88 -166.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.527 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 48.2 pttt -79.8 149.13 31.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.312 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.0 mt-10 65.17 23.12 12.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.504 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 m -81.0 147.82 30.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -96.08 122.71 39.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.786 0.327 . . . . 10.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.43 126.12 53.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 46.7 m80 -91.07 116.45 28.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.891 0.377 . . . . 10.0 111.153 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 tp -97.5 102.47 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.198 0.523 . . . . 10.0 110.777 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG13 ' HB ' ' C' ' 490' ' ' THR . 7.9 t -90.33 132.93 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.822 -0.627 . . . . 10.0 110.005 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.63 152.15 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.349 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -128.25 138.99 52.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.203 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -140.81 129.83 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.777 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.11 -26.38 21.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 110.192 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.51 140.79 16.29 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.974 -0.85 . . . . 10.0 110.974 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.844 0 CA-C-O 118.823 -0.987 . . . . 10.0 111.441 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.443 0.163 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 66.72 21.01 10.64 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.097 0.559 . . . . 10.0 111.979 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -49.52 74.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.388 . . . . 10.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -78.47 -36.78 44.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.588 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -56.57 -50.1 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.225 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -65.84 -37.59 86.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 10.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.24 94.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.198 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.9 mtt -72.29 -43.48 64.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.957 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.9 98.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' C' ' 466' ' ' GLU . 3.1 t60 -60.67 -33.72 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.541 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -69.33 -40.77 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.134 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.5 mt -70.47 -33.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.902 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -61.67 -23.34 66.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.686 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' C' ' 462' ' ' HIS . 5.7 mm-40 -82.31 -22.26 35.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.045 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.574 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 53.1 mmm -90.03 -40.64 12.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.417 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.413 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.4 OUTLIER -121.32 86.78 43.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.677 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -85.3 33.05 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.949 2.433 . . . . 10.0 112.153 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -135.77 9.16 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.445 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.413 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.1 p -118.64 133.49 23.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.948 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.74 128.7 31.44 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.492 2.128 . . . . 10.0 111.919 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -55.03 -36.95 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.673 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -66.74 -29.09 68.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.703 0.287 . . . . 10.0 111.408 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.13 -33.48 63.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 10.0 110.376 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.42 -43.44 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.46 -29.91 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.362 -0.836 . . . . 10.0 110.695 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.54 -56.59 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.45 -36.2 80.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.309 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -28.38 59.9 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.903 0.382 . . . . 10.0 111.596 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.2 -21.66 49.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.984 0.421 . . . . 10.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.12 -55.39 2.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.656 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 3.3 p -72.48 -41.84 65.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.605 0.24 . . . . 10.0 111.563 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 64.07 24.02 13.4 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.1 t -147.83 115.77 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.585 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.55 -33.84 40.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.856 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.7 mp0 -64.19 -52.27 59.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.014 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 40.1 mt -66.59 -32.65 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.9 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.2 m -61.39 -49.96 74.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.854 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.517 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.9 -39.85 95.75 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.97 -0.292 . . . . 10.0 111.346 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.06 -38.99 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -54.69 -46.79 74.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.565 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -65.73 -44.53 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.314 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -32.13 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.26 -36.57 63.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 10.0 111.426 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.19 35.37 0.77 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.187 -1.006 . . . . 10.0 112.851 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.72 -45.79 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.88 136.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.379 -0.828 . . . . 10.0 109.348 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -70.18 115.0 8.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.003 0.43 . . . . 10.0 110.779 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -74.79 166.51 44.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.98 75.33 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.661 2.241 . . . . 10.0 112.33 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -75.12 133.67 75.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.94 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.64 107.62 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.699 2.266 . . . . 10.0 112.242 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.204 -0.903 . . . . 10.0 109.88 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -115.66 140.47 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.025 0.441 . . . . 10.0 110.994 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -122.85 158.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 109.513 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.16 109.56 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.986 0.422 . . . . 10.0 110.934 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -96.73 129.73 46.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -111.52 129.46 56.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -99.86 171.62 7.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD21 HG21 ' C' ' 490' ' ' THR . 84.8 mt -68.2 -15.01 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 10.0 112.023 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.93 5.36 29.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.953 0.406 . . . . 10.0 111.018 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.75 28.39 65.18 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.887 -0.673 . . . . 10.0 111.814 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -104.57 136.97 43.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.361 -0.237 . . . . 10.0 110.361 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 m -111.86 111.76 22.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -103.54 129.93 54.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.63 126.06 39.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.07 145.8 50.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.728 0.299 . . . . 10.0 111.485 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -93.08 121.88 34.88 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.129 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -145.4 -179.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.013 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 mm-40 -140.98 154.43 68.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 108.82 -0.807 . . . . 10.0 108.82 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -47.91 -39.23 32.01 Favored 'Trans proline' 0 CA--C 1.535 0.561 0 C-N-CA 122.694 2.262 . . . . 10.0 113.802 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -83.7 11.36 7.48 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.646 0.609 . . . . 10.0 112.646 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -81.96 139.45 34.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -79.19 139.65 37.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.608 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.8 mm -55.13 -41.5 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.015 0.436 . . . . 10.0 110.734 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.73 -37.53 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.668 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.87 -37.83 76.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.282 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.48 -41.53 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.018 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -66.84 -30.19 70.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.521 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.99 85.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 10.0 109.889 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -67.31 -34.98 78.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.912 -0.586 . . . . 10.0 109.528 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.37 -32.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.397 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 60.4 tt0 -69.7 -31.82 70.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.925 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -74.43 -39.39 62.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.082 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.61 -64.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 10.0 112.009 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.25 -49.11 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 103.17 29.57 5.69 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.573 -0.822 . . . . 10.0 112.651 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -99.09 130.74 26.7 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.7 Cg_exo -54.21 135.74 65.8 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.957 2.438 . . . . 10.0 112.289 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.4 Cg_exo -58.46 -27.01 80.48 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.091 2.527 . . . . 10.0 113.867 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.47 -20.79 53.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 111.088 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.67 -4.41 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 10.0 110.277 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -91.65 112.99 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.651 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -111.86 106.85 15.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.004 -0.739 . . . . 10.0 109.004 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.6 126.56 35.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.83 0.347 . . . . 10.0 111.037 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -120.49 134.37 64.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.88 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.618 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.0 t80 -131.42 121.12 24.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.239 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 15.78 9.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 111.888 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.24 6.02 51.81 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 10.0 113.27 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.61 146.16 49.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.059 0.429 . . . . 10.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.46 142.56 35.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.043 0.449 . . . . 10.0 110.8 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.8 mt -91.57 123.79 35.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.127 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mt-10 -68.36 134.45 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -31.95 70.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.851 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.76 28.41 5.43 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.834 -0.698 . . . . 10.0 113.833 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.6 mmt180 -128.47 174.47 9.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.401 0.6 . . . . 10.0 110.333 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 p -109.75 170.93 7.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.984 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 78.3 mt -66.33 -31.11 71.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.136 0.494 . . . . 10.0 109.98 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -69.57 -20.03 63.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.318 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -35.49 80.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 10.0 111.079 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -103.65 10.55 36.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.132 0.491 . . . . 10.0 110.569 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 60.64 32.33 20.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.836 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.26 116.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.068 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -102.6 -169.9 1.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.551 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -74.94 156.51 36.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.507 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.0 5.04 3.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -77.85 150.66 34.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.998 0.428 . . . . 10.0 111.334 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -94.61 135.5 36.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.89 126.78 51.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.382 -0.599 . . . . 10.0 109.382 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 57.7 m80 -88.41 122.63 32.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.495 -0.321 . . . . 10.0 110.423 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -105.36 102.96 12.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.123 0.487 . . . . 10.0 110.36 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.8 t -94.45 133.83 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.428 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.64 155.06 17.49 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.741 -0.837 . . . . 10.0 108.741 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 4.9 ptm180 -128.0 142.05 51.35 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.304 -0.559 . . . . 10.0 111.297 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.8 117.17 18.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.737 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -82.26 -5.48 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.076 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.15 126.51 5.81 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.593 -0.603 . . . . 10.0 111.593 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 CA-C-O 119.048 -0.862 . . . . 10.0 111.187 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.773 0.32 . . . . 10.0 110.747 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 67.37 20.56 9.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -47.93 83.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.3 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.61 -36.11 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.957 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.47 -42.5 92.18 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.978 -0.378 . . . . 10.0 109.978 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -63.26 -38.48 91.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.819 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.43 84.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.617 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 76.7 mtm -69.45 -36.21 76.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.17 94.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.536 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.27 -36.41 77.76 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.093 0.473 . . . . 10.0 110.101 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.7 tp60 -63.63 -38.94 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.114 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 82.7 mt -73.46 -35.03 44.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.252 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -61.48 -29.38 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.197 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.75 -19.19 57.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.589 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 66.5 mmm -89.06 -43.51 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.116 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.482 ' O ' HG12 ' C' ' 471' ' ' VAL . 60.0 m-85 -121.14 88.91 45.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.723 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.64 37.28 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.063 2.509 . . . . 10.0 112.399 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.5 14.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.482 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.9 p -114.55 130.35 24.14 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 122.29 11.47 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.485 2.124 . . . . 10.0 112.495 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -54.54 -37.57 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.987 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -65.7 -27.95 68.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.546 0.212 . . . . 10.0 111.504 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 57.3 mt -78.46 -37.02 44.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.974 0.416 . . . . 10.0 110.052 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.7 t -63.2 -41.7 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 10.0 109.864 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 83.8 mt -63.56 -25.43 68.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.174 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -73.81 -49.57 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.11 -0.236 . . . . 10.0 110.42 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -63.01 -34.77 78.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 10.0 110.192 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -25.14 66.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.242 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 68.5 mt-30 -86.54 -21.95 26.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.004 0.431 . . . . 10.0 110.213 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -89.06 -67.0 0.87 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.965 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 74.6 p -72.95 -42.8 63.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.928 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 65.71 24.84 11.51 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.918 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.68 119.55 8.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.21 -29.45 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.56 -22.78 64.46 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.771 0.32 . . . . 10.0 111.573 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.4 -32.61 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.685 -0.406 . . . . 10.0 110.265 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.429 ' O ' HG13 ' C' ' 493' ' ' ILE . 35.3 m -62.71 -46.66 87.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.397 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.568 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.166 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 39.1 t70 -65.19 -40.45 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.884 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -55.84 -42.81 76.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.598 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.429 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -65.44 -41.5 91.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.52 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.79 -34.17 71.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.056 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.23 -32.95 69.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.932 0.396 . . . . 10.0 111.152 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 114.47 14.48 8.87 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.352 -0.927 . . . . 10.0 112.31 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -66.32 -49.48 66.86 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.87 122.96 40.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.89 107.54 4.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 10.0 110.629 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.42 161.12 61.34 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.37 119.85 7.07 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.472 2.114 . . . . 10.0 112.249 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -126.49 131.1 23.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.96 96.53 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.696 2.264 . . . . 10.0 112.205 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.963 -1.018 . . . . 10.0 109.145 -179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.875 0.369 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -100.97 142.58 32.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.991 0.424 . . . . 10.0 111.609 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.79 163.83 36.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.799 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -110.38 128.18 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.817 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -118.06 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.845 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -92.63 143.45 26.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.1 p -116.52 166.96 11.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.92 -17.02 62.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -15.11 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.346 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.06 26.13 15.2 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -118.27 121.86 41.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.879 0.371 . . . . 10.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.07 114.72 26.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.83 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -99.95 147.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.019 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 137.22 52.0 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -135.73 151.48 50.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.981 0.42 . . . . 10.0 111.776 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -92.93 110.59 22.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.19 174.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.111 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.6 mm-40 -136.73 159.33 70.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.17 -32.91 72.47 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.342 2.028 . . . . 10.0 113.07 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -94.0 14.99 18.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.014 0.375 . . . . 10.0 112.014 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.74 150.45 32.45 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.78 25.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.684 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -56.32 -43.68 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.675 0.274 . . . . 10.0 110.93 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -39.9 77.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.631 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.82 -38.5 86.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.115 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 61.5 t -63.07 -40.79 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.682 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -62.77 -35.8 81.01 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.187 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.91 84.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.185 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.09 -40.35 90.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.668 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.95 -39.17 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.053 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 46.8 tt0 -63.58 -29.46 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.0 -32.83 17.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.374 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -80.59 -48.45 12.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -95.54 -37.85 10.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.789 0.328 . . . . 10.0 111.287 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 101.82 4.99 51.41 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.33 129.67 79.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 122.308 0.243 . . . . 10.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.4 Cg_exo -61.73 136.79 64.41 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.509 2.139 . . . . 10.0 111.509 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.2 Cg_exo -61.27 -23.18 76.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 10.0 112.136 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -22.47 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.51 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -107.96 6.12 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -92.62 102.47 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.644 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -103.27 95.96 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.122 -0.695 . . . . 10.0 109.122 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -80.94 138.55 36.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.296 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.2 mp -130.66 138.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.75 . . . . 10.0 110.49 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.788 ' HB3' HD21 ' A' ' 50' ' ' LEU . 88.8 t80 -140.25 121.52 14.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 25.65 10.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.464 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.68 2.65 75.45 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.969 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.0 150.5 49.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 117.298 0.549 . . . . 10.0 110.975 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.4 OUTLIER -73.79 157.03 37.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.448 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.7 mt -112.08 144.93 40.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.364 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -90.83 139.01 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.789 0.328 . . . . 10.0 110.635 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.28 -33.17 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.131 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 17.18 34.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.787 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -118.9 166.88 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.272 0.536 . . . . 10.0 110.305 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -108.03 169.45 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.6 mt -61.01 -33.03 72.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 10.0 110.656 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.05 68.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.929 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.88 -20.65 65.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.825 0.345 . . . . 10.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -115.83 11.62 15.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.45 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.92 35.27 24.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.748 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 76.7 mt -78.78 111.16 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.121 0.486 . . . . 10.0 110.306 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -101.33 -165.76 1.23 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.406 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -75.91 150.0 37.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.698 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 69.79 12.95 8.07 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.844 0.715 . . . . 10.0 112.256 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -74.44 145.57 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.823 0.344 . . . . 10.0 110.451 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 118.14 35.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.553 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.15 149.01 28.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.705 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 49.4 m80 -112.98 124.38 52.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 10.0 110.832 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.6 103.53 14.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.033 0.444 . . . . 10.0 109.941 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' C' ' 490' ' ' THR . 71.0 t -95.67 136.43 26.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.82 158.04 16.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.113 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -128.72 129.91 46.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.999 0.428 . . . . 10.0 111.062 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mp -129.65 165.34 22.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.524 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -124.04 -36.07 2.75 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.735 -0.469 . . . . 10.0 109.735 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.31 120.17 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.665 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.11 -1.383 . . . . 10.0 111.182 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.504 0.193 . . . . 10.0 110.778 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 59.15 29.48 19.04 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.237 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -53.2 59.97 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.412 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -64.31 -38.53 91.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.712 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.24 -41.97 99.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.822 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -66.95 -39.45 87.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.22 85.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.287 0.565 . . . . 10.0 109.931 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 41.6 mtt -66.66 -44.84 80.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.808 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.58 92.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.221 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -60.42 -35.36 75.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.4 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -67.05 -33.28 75.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.449 HD11 HG12 ' C' ' 486' ' ' VAL . 74.1 mt -73.57 -36.54 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.728 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -63.16 -26.01 68.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.871 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -23.42 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.42 178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.458 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 21.7 mmm -96.12 -49.23 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.431 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.548 ' O ' HG12 ' C' ' 471' ' ' VAL . 5.9 m-85 -114.79 100.5 53.49 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.281 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.23 -8.06 11.86 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.201 1.934 . . . . 10.0 112.886 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -97.37 10.69 38.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.548 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.7 p -104.82 134.81 19.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 122.208 -0.308 . . . . 10.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.472 ' HG2' HD12 ' C' ' 475' ' ' LEU . 28.5 Cg_exo -63.92 120.64 8.08 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.507 2.138 . . . . 10.0 112.264 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -54.42 -43.03 71.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.893 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -64.96 -23.25 67.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.653 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' C' ' 472' ' ' PRO . 19.9 mt -86.39 -29.75 22.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.692 0.282 . . . . 10.0 110.317 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.438 HG23 ' O ' ' C' ' 472' ' ' PRO . 44.1 t -66.29 -40.19 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.117 -0.698 . . . . 10.0 109.117 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 77.9 mt -65.76 -17.7 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.56 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 5.4 tt0 -78.32 -52.87 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.402 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.24 -34.79 77.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -19.27 56.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 77.0 mt-30 -89.85 -17.73 27.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.662 0.267 . . . . 10.0 110.883 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' C' ' 482' ' ' LEU . 3.3 mm? -100.08 -46.57 5.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.037 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 46.5 p -88.94 -41.03 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.877 0.37 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 63.86 28.98 14.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.693 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.3 t -154.8 116.73 4.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.064 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.449 HG12 HD11 ' C' ' 464' ' ' ILE . 30.0 m -59.05 -28.05 37.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.01 -27.46 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.98 -34.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.55 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.448 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.7 m -59.16 -55.88 29.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.956 -0.566 . . . . 10.0 112.055 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -58.47 -36.7 74.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.292 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 14.1 t70 -68.4 -46.63 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.041 -0.726 . . . . 10.0 109.041 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.49 -39.45 61.26 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.166 -0.924 . . . . 10.0 110.777 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.448 HG13 ' O ' ' C' ' 489' ' ' THR . 83.0 mt -62.02 -47.2 94.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.434 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' GLN . 7.6 mt -64.21 -30.35 71.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.988 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 6.1 mm-40 -74.38 -30.3 61.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.15 0.5 . . . . 10.0 110.542 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.8 7.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.542 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -73.0 -31.32 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.501 0.667 . . . . 10.0 109.454 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.57 124.78 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.926 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -71.78 140.2 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 10.0 111.889 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.4 ' HB ' ' CD ' ' C' ' 501' ' ' PRO . 29.5 m -84.09 168.97 18.49 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.334 -0.848 . . . . 10.0 110.078 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.4 ' CD ' ' HB ' ' C' ' 500' ' ' VAL . 21.7 Cg_exo -65.2 90.8 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.501 2.134 . . . . 10.0 111.963 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.428 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 81.1 t80 -92.75 131.49 33.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . 0.428 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 30.3 Cg_endo -65.58 96.28 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.692 2.261 . . . . 10.0 112.107 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.254 1.317 0 CA-C-O 118.071 -0.966 . . . . 10.0 109.675 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -103.54 139.26 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.79 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -125.87 157.0 35.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.871 -0.604 . . . . 10.0 109.524 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -114.78 108.1 16.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 10.0 111.282 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.56 119.83 39.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -104.75 136.43 44.28 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.327 0.584 . . . . 10.0 110.863 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -108.73 161.35 15.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.973 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 33.1 mt -60.28 -28.43 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.063 0.458 . . . . 10.0 111.106 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.19 63.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.297 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.35 25.7 18.04 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.831 -0.699 . . . . 10.0 112.794 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -110.6 132.65 54.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.759 0.314 . . . . 10.0 110.285 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.95 119.93 39.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.501 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -103.35 129.79 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.498 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -93.3 123.5 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.82 136.06 54.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.855 0.36 . . . . 10.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.29 108.46 20.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.552 -0.749 . . . . 10.0 109.02 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -136.76 176.97 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.84 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -139.61 158.21 68.68 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.81 -27.75 54.38 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.438 2.092 . . . . 10.0 113.015 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -6.26 53.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.373 0.508 . . . . 10.0 112.373 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.29 146.3 26.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 10.0 110.451 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.4 151.25 20.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.139 -179.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.7 -32.84 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 10.0 110.005 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -58.24 -44.69 88.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.612 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.28 -35.29 75.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.215 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' THR . 59.4 t -62.21 -43.81 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.299 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -61.94 -36.51 81.61 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.516 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.02 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.326 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.01 -34.36 77.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.362 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.91 -36.41 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.712 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.25 -33.02 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.05 0.453 . . . . 10.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.75 -35.7 72.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.54 -45.2 10.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -94.14 -47.66 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.49 -2.23 26.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.226 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.75 124.2 86.43 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.439 -0.208 . . . . 10.0 110.439 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.8 142.32 92.29 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.483 2.122 . . . . 10.0 112.136 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.39 -24.23 75.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.764 2.309 . . . . 10.0 112.622 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.32 -25.29 65.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.29 6.32 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.717 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -98.12 120.49 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.998 0.428 . . . . 10.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.44 100.13 7.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -85.62 126.77 34.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.088 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.17 135.08 61.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.633 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.3 t80 -130.78 120.97 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.524 -0.762 . . . . 10.0 109.393 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.06 21.22 12.51 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.66 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' HA3' ' OE1' ' C' ' 470' ' ' GLN . . . 95.2 4.53 61.14 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.776 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -127.36 151.14 49.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.207 0.503 . . . . 10.0 110.545 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.96 155.16 35.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.316 0.579 . . . . 10.0 111.949 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.6 mt -106.79 137.67 44.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.841 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -87.8 139.78 30.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.12 -30.38 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.661 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.78 24.9 8.03 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.919 -0.658 . . . . 10.0 112.747 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -128.68 165.47 20.79 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.0 p -105.4 170.02 8.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.254 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.797 0.332 . . . . 10.0 111.043 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -19.0 61.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 10.0 110.966 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' THR . 29.5 m-20 -66.63 -22.98 66.11 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.973 0.416 . . . . 10.0 111.031 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -111.17 14.43 21.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.99 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 t30 58.88 37.68 24.69 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.114 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.15 123.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.547 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -107.02 -164.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.404 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -76.9 152.59 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.892 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.41 31.76 20.43 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.722 0.639 . . . . 10.0 112.344 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -90.89 151.92 20.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.292 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.0 m -95.86 126.42 41.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.36 123.21 48.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.936 -0.765 . . . . 10.0 108.936 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.9 m80 -90.33 128.82 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.799 0.333 . . . . 10.0 110.481 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -108.98 107.69 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 10.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.92 147.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.103 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.6 mt -114.23 132.16 56.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 24.5 ttm180 -87.9 134.67 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 10.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' HB2' HG12 ' C' ' 488' ' ' ILE . 3.7 mp -143.0 152.58 42.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.335 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -123.14 -11.25 8.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 10.0 111.015 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.34 106.42 3.27 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.812 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.229 -1.317 . . . . 10.0 111.834 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.62 -0.141 . . . . 10.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.513 HD21 HD22 ' C' ' 477' ' ' LEU . 4.3 t30 65.62 10.55 6.8 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.545 0.338 . . . . 10.0 111.62 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -50.71 57.49 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.835 0.68 . . . . 10.0 112.835 -178.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.65 -39.08 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.898 0.38 . . . . 10.0 111.236 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.36 -36.83 85.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.972 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.2 -49.44 69.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.252 . . . . 10.0 110.943 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.83 96.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.056 0.455 . . . . 10.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 72.2 mtm -67.95 -38.34 82.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.26 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.36 79.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.106 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -59.56 -38.37 80.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.158 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -62.04 -39.68 93.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.154 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.66 -31.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -62.22 -35.71 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.658 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.2 -21.89 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 10.0 110.679 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmm -84.92 -31.35 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.738 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 16.1 m-85 -132.8 93.17 24.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.503 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.2 24.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.658 2.239 . . . . 10.0 112.409 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . 0.558 ' OE1' ' HA3' ' A' ' 47' ' ' GLY . 15.8 pt20 -137.41 25.72 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.6 p -128.86 128.9 23.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.759 0.314 . . . . 10.0 110.626 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 51.0 Cg_exo -58.47 130.04 35.5 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 10.0 112.294 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.89 -38.96 76.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 10.0 111.785 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -65.78 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 10.0 111.054 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.9 mt -73.89 -30.3 62.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.539 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 61.3 t -67.95 -39.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.513 HD22 HD21 ' C' ' 454' ' ' ASN . 93.0 mt -64.19 -24.7 67.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.847 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.03 -54.33 31.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.769 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' C' ' 489' ' ' THR . 14.1 t70 -64.92 -33.07 75.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 10.0 110.629 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.12 -27.73 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.138 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -93.97 2.58 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 10.0 110.675 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.89 -52.85 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.265 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . 0.557 ' HB ' HD12 ' C' ' 488' ' ' ILE . 44.8 p -93.38 -29.21 15.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.378 . . . . 10.0 110.993 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? 66.37 9.94 6.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.52 -0.763 . . . . 10.0 111.392 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.71 117.72 17.28 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.48 -31.63 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.277 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 3.7 mp0 -60.26 -52.46 65.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.557 HD12 ' HB ' ' C' ' 483' ' ' THR . 5.8 mt -65.99 -28.38 43.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.581 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.555 HG23 ' HB3' ' C' ' 479' ' ' ASP . 47.5 m -63.6 -56.71 13.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.394 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -36.1 75.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.487 0.661 . . . . 10.0 110.303 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.469 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 15.9 t0 -66.58 -50.53 62.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.003 -0.999 . . . . 10.0 110.09 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -57.15 -39.04 74.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.327 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.56 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.408 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.06 -32.58 65.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.709 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.6 mm-40 -68.33 -50.32 54.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.391 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 131.46 25.79 0.76 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.492 -0.776 . . . . 10.0 112.151 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -83.23 -28.97 28.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.96 118.15 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.166 -0.925 . . . . 10.0 108.743 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -69.31 139.03 54.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.208 0.528 . . . . 10.0 111.375 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 13.8 m -87.61 166.79 23.29 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 10.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 51.6 Cg_exo -54.98 99.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.564 2.176 . . . . 10.0 112.088 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -111.15 130.93 22.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.636 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 119.41 6.65 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.764 2.309 . . . . 10.0 112.471 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.422 179.694 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.8 ptt? . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.503 ' OE1' ' HB ' ' A' ' 14' ' ' THR . 37.6 mm-40 -101.19 133.98 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.253 0.549 . . . . 10.0 111.821 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -121.56 167.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.487 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' THR . 50.9 m-85 -113.77 112.7 23.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.722 0.296 . . . . 10.0 110.813 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.84 116.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -103.28 135.13 45.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.796 0.331 . . . . 10.0 110.905 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.451 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -98.25 167.68 10.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.46 -14.2 62.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -10.05 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.918 0.389 . . . . 10.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.71 17.19 42.51 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -103.75 143.63 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 124.75 52.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.429 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -112.38 132.66 60.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.079 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.503 ' HB ' ' OE1' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -93.29 123.64 36.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.598 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.92 139.04 53.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.997 0.427 . . . . 10.0 112.078 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.47 108.42 19.64 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.591 -0.892 . . . . 10.0 108.591 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.2 m -135.26 174.42 12.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.661 -178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 56' ' ' LEU . 72.0 mm-40 -134.75 157.7 76.61 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 108.865 -0.791 . . . . 10.0 108.865 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.09 -31.57 75.79 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.325 2.017 . . . . 10.0 113.19 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -82.54 -3.07 55.38 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.45 149.46 45.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.9 p -98.73 150.01 22.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.139 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.77 -37.2 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -38.62 88.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.464 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.47 -37.79 71.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.166 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 95.8 t -61.54 -42.38 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 10.0 109.926 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 41' ' ' GLN . 46.9 mtmt -65.1 -33.83 76.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.304 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.64 86.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.838 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 98.8 mttt -64.52 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.833 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -70.46 -36.43 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.071 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.1 -35.72 81.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.273 0.559 . . . . 10.0 110.232 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -71.32 -47.64 55.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.41 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 63.9 mttt -75.34 -52.82 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.89 -55.97 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.92 7.3 17.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.481 -0.866 . . . . 10.0 111.95 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.3 mt -82.81 124.18 77.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.7 Cg_exo -56.98 134.87 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.542 2.161 . . . . 10.0 111.985 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 40.7 Cg_exo -56.94 -16.68 21.28 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.059 2.506 . . . . 10.0 112.789 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.25 -36.26 76.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.273 0.559 . . . . 10.0 110.593 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -101.07 17.19 23.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.958 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 54.4 mt-30 -102.01 106.51 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.298 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -109.44 101.56 10.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -87.63 126.55 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.761 0.315 . . . . 10.0 110.768 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -121.22 137.5 54.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -131.91 122.51 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.336 -0.847 . . . . 10.0 109.571 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.25 -8.22 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.531 0.732 . . . . 10.0 112.21 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 131.94 -10.64 5.41 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.5 -0.857 . . . . 10.0 113.05 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.07 155.24 29.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.741 0.271 . . . . 10.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.73 145.12 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.437 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -92.63 137.93 31.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.544 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.99 150.14 25.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.619 0.247 . . . . 10.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -46.68 80.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.602 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 54.44 4.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.887 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -143.46 161.02 39.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 42.9 p -107.36 169.7 8.41 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 18' ' ' GLU . 77.8 mt -66.61 -33.65 76.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.052 0.453 . . . . 10.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -71.94 -19.38 61.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.854 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.4 m-20 -62.35 -38.71 90.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 10.0 110.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.13 18.34 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.945 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.46 37.72 22.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.799 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -85.79 127.1 40.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -122.34 -166.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.261 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -72.18 155.5 40.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 67.09 7.28 5.3 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.491 0.494 . . . . 10.0 112.06 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -79.13 138.68 38.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 27.0 m -98.43 119.65 37.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.123 0.487 . . . . 10.0 111.33 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.21 140.73 37.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.635 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 53.2 m80 -99.18 122.02 41.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.351 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 7' ' ' THR . 55.7 tp -99.8 108.34 20.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 10.0 110.404 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG13 ' HB ' ' C' ' 490' ' ' THR . 89.0 t -102.23 140.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 5.5 mp -91.38 175.46 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' C' ' 495' ' ' GLU . 2.6 ttm180 -148.27 141.09 24.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.652 0.263 . . . . 10.0 110.851 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD13 HG12 ' C' ' 488' ' ' ILE . 2.7 mp -124.99 160.62 28.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -117.44 15.94 14.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.525 0.679 . . . . 10.0 109.945 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.59 156.54 28.25 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.211 -0.904 . . . . 10.0 111.031 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.243 -1.31 . . . . 10.0 111.728 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.526 0.203 . . . . 10.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 60.53 24.9 14.55 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.307 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.08 -50.82 62.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.035 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -66.64 -36.61 82.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.99 0.424 . . . . 10.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.64 -43.28 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -65.24 -41.46 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.87 89.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.628 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 22.1 mtm -69.68 -39.92 76.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.384 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.63 98.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -59.11 -34.77 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.55 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.86 -38.46 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.409 HD11 HG12 ' C' ' 486' ' ' VAL . 69.5 mt -68.36 -34.3 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 10.0 110.154 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -64.08 -20.23 65.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -83.03 -17.65 42.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.082 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 47.2 mmm -91.83 -47.79 7.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.688 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 86.3 m-85 -125.07 98.47 36.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.14 -3.88 11.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.254 1.969 . . . . 10.0 112.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pm0 -88.89 -12.55 41.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.1 p -95.37 131.59 29.44 Favored Pre-proline 0 C--N 1.326 -0.417 0 C-N-CA 121.087 -0.245 . . . . 10.0 110.592 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 47.9 Cg_exo -58.21 131.01 40.64 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.601 2.2 . . . . 10.0 112.631 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.72 -38.29 75.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.65 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -66.47 -27.87 68.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 10.0 110.983 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.83 -34.72 51.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.07 -40.94 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.72 -31.47 70.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.68 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.68 -54.26 38.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.837 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.9 t70 -65.66 -34.37 78.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.999 0.428 . . . . 10.0 109.953 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 0.3 OUTLIER -61.91 -27.91 69.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.611 179.254 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -88.78 -7.66 55.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 10.0 110.408 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.9 -59.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.857 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.8 p -87.23 -38.64 16.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.574 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 2.1 mpt_? 61.4 39.99 14.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.149 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 24.0 t -156.17 110.51 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.281 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.409 HG12 HD11 ' C' ' 464' ' ' ILE . 27.4 m -57.99 -27.71 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.092 0.472 . . . . 10.0 110.621 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.86 -24.06 67.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.815 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.488 HG12 HD13 ' A' ' 73' ' ' LEU . 20.3 mt -104.82 -45.23 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.443 HG23 ' HB3' ' C' ' 479' ' ' ASP . 38.8 m -51.16 -53.68 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.745 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.569 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -61.04 -37.08 81.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.359 -178.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 21.5 t70 -69.05 -42.44 76.28 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.5 -41.92 63.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.312 -0.858 . . . . 10.0 110.705 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.04 -44.35 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.419 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.73 -32.06 72.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.465 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 72' ' ' ARG . 6.1 mm-40 -76.2 -34.28 59.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.117 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.03 16.69 7.16 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.473 -0.87 . . . . 10.0 112.239 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -72.96 -32.64 65.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.12 0.486 . . . . 10.0 109.96 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.03 135.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.343 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -66.74 115.17 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 10.0 110.931 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.15 159.14 60.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.6 101.26 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.441 2.094 . . . . 10.0 112.417 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.452 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 76.1 t80 -115.39 135.63 22.61 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 19.8 Cg_endo -62.47 103.48 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.476 2.118 . . . . 10.0 111.99 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.242 -0.885 . . . . 10.0 109.717 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.909 -0.404 . . . . 10.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -105.76 140.38 38.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.639 0.257 . . . . 10.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -128.12 162.04 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.119 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.14 100.48 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.225 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.1 t -89.49 110.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -97.41 130.53 44.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.225 0.536 . . . . 10.0 111.568 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.43 161.78 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.062 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 487' ' ' GLU . 79.3 mt -67.29 -3.4 7.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.83 0.308 . . . . 10.0 111.83 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.96 0.7 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.167 0.508 . . . . 10.0 110.685 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 20.41 59.81 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -99.45 137.07 38.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.643 0.259 . . . . 10.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -112.35 104.67 12.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.015 0.436 . . . . 10.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.19 114.66 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.382 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.64 117.84 25.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -120.35 145.38 47.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.26 0.552 . . . . 10.0 111.935 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.33 107.04 18.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.273 -0.876 . . . . 10.0 109.099 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.94 175.91 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.023 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.1 mm-40 -138.7 164.22 41.26 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.003 -0.739 . . . . 10.0 109.003 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.87 -32.2 84.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.053 1.835 . . . . 10.0 112.718 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -2.89 37.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.054 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.81 122.21 26.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.807 0.337 . . . . 10.0 110.168 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -77.04 149.72 35.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.687 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.08 -36.09 43.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.295 0.569 . . . . 10.0 110.055 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.52 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.563 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -71.98 -35.46 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.327 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 60.0 t -63.21 -38.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.677 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -61.55 -39.31 90.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.295 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.29 78.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.479 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.96 -39.32 79.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.876 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.95 -39.77 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.307 0.575 . . . . 10.0 109.628 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -64.55 -32.6 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.484 -0.78 . . . . 10.0 110.612 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.08 -11.38 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -113.82 -48.73 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -94.96 -11.09 29.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.099 0.407 . . . . 10.0 112.099 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.18 32.38 82.07 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.157 -0.544 . . . . 10.0 112.79 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -102.97 124.82 37.23 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.204 -0.295 . . . . 10.0 110.204 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.4 Cg_exo -55.78 132.46 52.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.652 2.235 . . . . 10.0 112.722 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.3 Cg_exo -57.37 -25.88 67.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.958 2.439 . . . . 10.0 112.56 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -16.79 62.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.273 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -109.46 1.44 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.957 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.55 109.54 20.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 20.1 mtp180 -104.49 97.14 7.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.631 -0.878 . . . . 10.0 108.631 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.3 mt -84.78 129.86 34.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.201 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.95 137.84 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.04 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.518 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.6 t80 -131.13 118.64 20.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 22.43 13.21 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.662 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.69 61.3 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 10.0 113.074 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.04 143.74 47.93 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.558 -0.377 . . . . 10.0 110.739 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.81 147.78 38.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.016 0.436 . . . . 10.0 111.408 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.9 mt -103.57 127.14 51.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -83.41 140.09 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.772 0.32 . . . . 10.0 110.302 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.82 -37.53 71.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.698 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.66 30.16 3.53 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.059 -0.591 . . . . 10.0 113.203 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 43.6 mmt180 -127.5 163.06 24.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.786 0.326 . . . . 10.0 110.345 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.34 165.83 11.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.874 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 18' ' ' GLU . 55.8 mt -62.53 -34.49 77.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.824 0.345 . . . . 10.0 111.372 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -26.25 67.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -61.44 -38.2 86.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.116 0.484 . . . . 10.0 110.977 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -98.75 7.89 45.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.23 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.43 34.94 15.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.0 -1.0 . . . . 10.0 111.84 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.17 115.27 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.17 -167.07 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.927 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -69.91 148.92 48.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.335 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 62.62 20.3 11.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.394 -0.821 . . . . 10.0 112.484 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -83.5 146.11 28.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.097 -0.334 . . . . 10.0 110.097 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.72 126.7 37.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.058 0.456 . . . . 10.0 111.443 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.01 119.87 39.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 37.9 m80 -85.42 121.44 28.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.7 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.0 tp -106.19 107.07 17.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.947 0.404 . . . . 10.0 110.387 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.5 t -93.25 127.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.626 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.6 mt -90.43 112.07 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.645 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -82.56 156.75 23.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.298 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -126.46 154.38 43.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.728 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -99.46 -15.81 18.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.679 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.41 136.53 7.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.579 -0.82 . . . . 10.0 112.276 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.088 -1.396 . . . . 10.0 111.174 179.587 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.493 0.187 . . . . 10.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.74 26.2 15.3 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.817 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -51.46 66.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.945 0.402 . . . . 10.0 111.241 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -61.04 -41.29 96.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.779 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.65 -42.2 91.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.07 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.27 -46.3 89.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.86 99.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.917 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 18.2 mtm -63.53 -43.16 97.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.511 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.47 76.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.942 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.89 -40.02 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 10.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -65.96 -36.7 84.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.066 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 59.2 mt -70.15 -34.61 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -62.92 -27.0 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.207 0.527 . . . . 10.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.16 -19.36 51.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.26 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 52.5 mmm -90.02 -42.05 11.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.722 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.75 95.9 47.55 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.35 19.14 1.42 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.655 2.237 . . . . 10.0 112.623 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -131.18 30.93 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.388 . . . . 10.0 111.137 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.68 129.53 20.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.644 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.79 125.36 18.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.601 2.201 . . . . 10.0 112.153 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.77 -43.36 65.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 112.21 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -64.21 -26.84 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.664 0.246 . . . . 10.0 111.664 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.59 -32.72 53.79 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.05 -40.4 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.35 -23.45 67.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.779 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.33 -54.06 29.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.076 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.1 t70 -65.76 -32.96 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.512 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 0.4 OUTLIER -59.88 -32.22 70.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.556 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.73 -6.13 58.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.53 -56.31 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.747 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 77.0 p -91.75 -34.61 14.54 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.939 0.348 . . . . 10.0 111.939 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' C' ' 480' ' ' LEU . 1.4 mpt_? 63.59 35.88 11.39 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.091 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.8 t -151.1 115.89 5.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.173 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.5 m -56.18 -32.72 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.758 0.313 . . . . 10.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.8 mp0 -63.41 -55.22 26.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.453 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 22.1 mt -64.8 -38.81 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.911 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.524 ' O ' HG13 ' C' ' 493' ' ' ILE . 92.4 m -57.42 -58.67 7.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.972 0.36 . . . . 10.0 111.972 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.443 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -62.02 -35.5 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.845 0.355 . . . . 10.0 110.939 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 22.6 t70 -65.17 -48.26 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.535 0.683 . . . . 10.0 109.576 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 24.1 t30 -60.48 -34.17 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 10.0 111.019 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.524 HG13 ' O ' ' C' ' 489' ' ' THR . 85.9 mt -61.74 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.99 -21.9 65.94 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.788 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.1 mm-40 -77.73 -9.81 59.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.075 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 88.9 15.27 59.67 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.629 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -73.76 -35.56 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 10.0 109.528 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.1 mp -94.49 129.07 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.427 -0.953 . . . . 10.0 108.427 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -62.7 105.93 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.05 0.452 . . . . 10.0 111.564 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 29.3 m -70.24 157.75 89.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.78 115.41 2.43 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.445 2.097 . . . . 10.0 112.011 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -126.25 133.41 24.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.434 -0.58 . . . . 10.0 109.434 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.44 97.45 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.697 2.265 . . . . 10.0 111.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.992 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.6 ptt? . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -93.28 143.63 26.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.032 0.444 . . . . 10.0 111.183 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.0 pt -132.76 160.08 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.478 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' THR . 97.8 m-85 -118.7 103.87 10.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.975 0.417 . . . . 10.0 110.854 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.28 117.02 33.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -95.54 140.84 29.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.385 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.5 p -117.23 160.18 21.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.626 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.25 -21.51 66.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.14 0.495 . . . . 10.0 110.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -12.33 60.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.081 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 22.39 46.84 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.018 -0.611 . . . . 10.0 112.347 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -109.16 137.07 47.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -102.66 123.55 46.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.922 0.391 . . . . 10.0 110.18 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -106.25 119.48 55.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -95.06 122.48 37.76 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -124.96 144.55 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.929 0.395 . . . . 10.0 111.767 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -90.31 108.75 19.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.4 m -134.47 168.34 23.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.97 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -125.0 156.96 68.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 -35.46 85.61 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.361 2.041 . . . . 10.0 112.712 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -81.54 8.27 10.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -80.46 141.38 35.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.861 0.362 . . . . 10.0 110.685 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.7 144.66 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.536 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' ARG . 41.0 mm -57.87 -37.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.307 0.575 . . . . 10.0 110.21 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.36 -37.74 81.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.597 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.54 -37.6 68.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 62.9 t -60.3 -38.84 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.846 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.15 -40.87 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.44 81.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.669 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -67.49 -36.74 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.045 0.45 . . . . 10.0 110.358 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.7 -36.52 74.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.1 tt0 -71.36 -26.55 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.159 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.23 -47.65 60.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.006 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -79.86 -56.15 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -81.09 -57.47 3.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.822 0.344 . . . . 10.0 111.033 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 119.98 -2.13 13.24 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.303 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.88 120.94 70.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 122.261 0.224 . . . . 10.0 111.286 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -61.95 139.78 81.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.205 1.936 . . . . 10.0 111.303 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -56.25 -22.2 39.65 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.961 2.44 . . . . 10.0 112.745 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.12 -34.27 77.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.113 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -101.81 4.16 40.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.322 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -88.51 92.49 9.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.352 . . . . 10.0 111.564 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' HD22 ' C' ' 494' ' ' LEU . 21.3 ttt180 -98.53 89.4 4.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 50' ' ' LEU . 28.5 mt -79.46 130.6 35.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.715 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.6 144.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.112 -0.949 . . . . 10.0 109.992 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -131.81 108.93 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.905 -0.405 . . . . 10.0 109.905 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.12 6.09 5.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.425 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.1 -9.64 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.51 140.01 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.34 -0.245 . . . . 10.0 110.34 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.18 137.57 38.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 43' ' ' LEU . 52.8 mt -87.23 142.35 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.692 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.77 150.43 20.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.78 -41.38 92.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.813 0.34 . . . . 10.0 111.065 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 47.64 3.83 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.11 -0.567 . . . . 10.0 113.086 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' A' ' 23' ' ' ILE . 79.5 mmt-85 -140.39 156.84 46.26 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 73.4 p -102.64 170.83 7.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.7 mt -67.26 -35.12 78.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.967 0.413 . . . . 10.0 109.904 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -28.7 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.789 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -57.47 -42.54 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.193 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -94.69 11.41 31.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.103 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.15 32.85 14.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.104 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.34 117.69 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.118 0.485 . . . . 10.0 110.523 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.68 -167.77 1.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.141 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -80.41 155.06 27.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 62.6 22.87 13.59 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.426 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -84.33 144.24 28.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.669 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -94.8 121.39 36.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.35 151.84 22.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -110.83 123.6 50.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.819 0.342 . . . . 10.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.0 tp -108.62 111.61 23.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 10.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.09 127.52 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.198 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -98.73 128.51 45.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.078 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.18 171.69 7.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 10.0 111.021 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD13 HG12 ' C' ' 488' ' ' ILE . 5.1 mp -124.61 -179.89 4.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.609 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -103.0 -33.72 9.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.112 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 154.97 26.05 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.563 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.372 -1.238 . . . . 10.0 111.364 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.518 0.199 . . . . 10.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 69.4 5.56 5.21 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.155 0.582 . . . . 10.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -48.76 79.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.494 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -64.35 -41.72 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.009 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.98 -41.64 86.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.635 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.12 -45.05 86.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.749 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.36 93.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 43.5 mtm -69.06 -43.94 73.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.41 87.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.964 0.412 . . . . 10.0 110.763 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.661 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.53 -40.23 90.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.17 -42.54 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.912 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -59.19 -32.65 70.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.439 . . . . 10.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -68.94 -25.16 64.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.321 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 3.1 mtm -98.44 -37.1 9.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.14 96.04 37.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.262 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.62 2.51 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.723 2.282 . . . . 10.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -99.3 13.22 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.792 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 10.5 p -132.72 134.52 24.74 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.637 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.77 136.12 47.86 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.5 2.133 . . . . 10.0 112.08 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.85 -38.04 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.578 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.2 -27.04 67.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.664 0.269 . . . . 10.0 111.282 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.25 -33.7 43.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 10.0 110.195 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.9 -44.49 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 10.0 109.595 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.94 -29.27 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.014 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.3 tt0 -60.13 -53.79 53.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.737 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.9 t70 -69.65 -36.21 75.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.095 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -33.61 68.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.847 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -77.8 -17.35 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.34 -62.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.786 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.9 p -76.74 -42.92 39.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.762 0.315 . . . . 10.0 111.197 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 66.16 36.27 5.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.385 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.8 t -149.4 119.8 7.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 10.0 109.547 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.12 -34.12 55.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.76 -47.33 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 10.0 110.604 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.421 HG12 HD13 ' A' ' 73' ' ' LEU . 57.4 mt -72.4 -44.83 61.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.251 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' C' ' 479' ' ' ASP . 99.7 m -55.33 -52.57 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -61.99 -41.12 97.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.54 -35.97 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 10.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -56.87 -46.62 81.7 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.34 -40.4 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.12 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.437 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -62.55 -40.27 96.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.301 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.42 -21.5 61.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.597 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 19.68 11.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.613 -0.803 . . . . 10.0 112.894 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -70.27 -37.55 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.093 0.473 . . . . 10.0 109.803 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.68 131.03 53.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.416 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.48 117.24 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.286 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.5 m -81.58 162.16 59.16 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.11 113.07 1.27 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.741 2.294 . . . . 10.0 112.169 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -128.1 134.91 26.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.183 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.37 113.43 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.666 2.244 . . . . 10.0 112.065 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.251 -0.881 . . . . 10.0 109.863 -179.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.755 0.312 . . . . 10.0 110.367 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 16' ' ' GLU . 49.9 mm-40 -96.33 141.97 29.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.315 0.578 . . . . 10.0 112.485 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -129.09 157.45 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 10.0 109.258 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.5 m-85 -115.24 103.61 11.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.058 0.456 . . . . 10.0 110.994 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -88.1 125.0 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.797 -0.445 . . . . 10.0 109.797 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -107.51 132.93 52.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 10.0 110.899 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -107.27 158.04 17.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.309 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD21 HG21 ' C' ' 490' ' ' THR . 37.3 mt -66.98 -15.83 63.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.99 0.424 . . . . 10.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -6.21 59.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.139 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.89 45.01 7.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.172 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -129.75 109.69 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.216 -0.291 . . . . 10.0 110.216 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -85.94 128.78 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.847 0.356 . . . . 10.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -119.5 125.96 74.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.919 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 120.01 35.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 10.0 109.897 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -121.39 144.63 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.709 0.29 . . . . 10.0 111.517 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' NE2' ' A' ' 2' ' ' GLN . 2.6 mm-40 -87.25 117.33 25.93 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.708 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.71 178.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.5 mm-40 -140.75 156.11 69.03 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.18 -34.32 68.49 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 122.217 1.945 . . . . 10.0 112.555 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -4.82 44.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.188 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.06 148.56 43.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.875 0.369 . . . . 10.0 110.182 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.675 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -55.93 -42.44 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 10.0 110.446 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -57.51 -42.55 83.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.701 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.518 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.38 -39.62 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 10.0 109.86 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -62.88 -37.34 86.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.349 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.3 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.526 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.06 -38.68 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.318 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -69.86 -32.28 51.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.019 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.539 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 56.3 tt0 -70.77 -27.89 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.492 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.08 -30.94 49.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.915 0.388 . . . . 10.0 111.31 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -92.5 -64.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -78.26 -34.48 49.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 10.0 111.126 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 94.19 2.98 63.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.328 -0.939 . . . . 10.0 113.182 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -69.32 124.72 91.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 121.959 0.104 . . . . 10.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.1 Cg_exo -59.23 135.92 68.98 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.534 2.156 . . . . 10.0 111.761 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 50.4 Cg_exo -55.81 -28.25 66.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.05 2.5 . . . . 10.0 113.414 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -19.57 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.355 . . . . 10.0 111.555 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -108.47 4.92 24.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -93.76 94.88 8.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.318 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 32.7 mtp180 -96.92 104.13 16.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -90.86 122.33 33.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.021 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.75 141.43 38.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.33 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CB ' HD21 ' A' ' 50' ' ' LEU . 25.5 t80 -134.97 121.01 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.46 10.81 6.06 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.58 -23.12 11.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.233 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -104.66 150.66 24.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.108 0.454 . . . . 10.0 111.13 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -77.92 152.79 33.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.138 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD21 ' CB ' ' A' ' 45' ' ' PHE . 21.3 mt -100.31 138.5 37.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.253 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.26 141.11 29.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.85 -31.45 71.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.667 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.24 39.1 3.13 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.595 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -139.18 156.71 46.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 75.8 p -99.06 175.39 5.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.5 mt -68.98 -38.33 79.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.849 0.357 . . . . 10.0 110.301 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -24.34 66.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.809 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.6 m-20 -62.91 -30.08 71.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -109.05 14.41 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.14 24.62 13.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.231 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -77.52 117.9 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.354 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -117.86 -157.36 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.183 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -76.39 152.47 36.27 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 69.0 16.57 8.72 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.767 0.667 . . . . 10.0 112.049 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -83.64 142.31 30.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.621 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.3 m -100.87 119.26 38.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.601 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -102.83 133.06 48.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.456 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -94.16 123.85 37.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.413 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.0 tp -106.31 106.92 17.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.978 0.418 . . . . 10.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 43.6 t -94.25 121.98 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.598 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.79 110.39 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -90.41 154.39 19.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.037 0.446 . . . . 10.0 111.865 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.83 178.73 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.43 -22.61 3.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.286 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.09 108.54 1.1 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.617 -0.801 . . . . 10.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.013 -0.882 . . . . 10.0 111.706 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.375 0.131 . . . . 10.0 110.708 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 64.78 20.45 12.13 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.63 0.372 . . . . 10.0 111.87 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -62.01 -47.0 86.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.736 0.303 . . . . 10.0 111.627 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -68.48 -42.88 78.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.96 0.409 . . . . 10.0 110.58 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.99 -44.29 96.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.002 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.36 -45.97 88.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 10.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.69 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.304 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.7 mtm -70.69 -37.0 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.94 93.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -60.38 -37.38 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.889 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.81 -38.18 87.18 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.163 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 58.3 mt -70.77 -39.05 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.161 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -63.99 -26.2 68.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.322 0.582 . . . . 10.0 110.486 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -78.96 -15.51 58.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.677 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.417 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 11.0 mmm -101.53 -48.54 4.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -104.44 102.82 35.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.576 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' C' ' 467' ' ' MET . 90.7 Cg_endo -90.4 30.87 0.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.946 2.43 . . . . 10.0 112.091 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -139.54 35.01 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.868 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 8.7 p -146.54 130.9 8.68 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.568 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.513 ' HG2' HD12 ' C' ' 475' ' ' LEU . 32.1 Cg_exo -60.49 128.83 27.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.811 2.341 . . . . 10.0 112.421 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -52.97 -45.55 67.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.786 -0.643 . . . . 10.0 112.439 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -63.38 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.668 0.247 . . . . 10.0 111.668 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.513 HD12 ' HG2' ' C' ' 472' ' ' PRO . 18.8 mt -74.19 -33.66 63.51 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.109 -0.237 . . . . 10.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.3 t -64.88 -42.6 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.35 -31.49 71.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.774 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' C' ' 478' ' ' GLN . 0.2 OUTLIER -60.04 -50.14 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.953 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' C' ' 498' ' ' ILE . 12.4 t70 -69.46 -37.24 77.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.458 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.96 -32.01 69.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.039 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.34 -9.38 59.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.261 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.64 -52.18 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.437 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.7 p -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.623 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 64.71 20.26 12.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -139.03 118.7 13.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.089 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.2 m -59.97 -29.05 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.401 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.35 -48.2 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.64 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.71 -40.64 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.339 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.563 ' O ' HG13 ' C' ' 493' ' ' ILE . 88.5 m -56.23 -49.2 74.79 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.404 HG21 HD21 ' A' ' 8' ' ' LEU . 1.1 p -62.81 -45.48 92.42 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.605 0.224 . . . . 10.0 111.605 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.96 -38.75 91.99 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.496 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 10.0 m-20 -57.6 -43.81 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.346 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.563 HG13 ' O ' ' C' ' 489' ' ' THR . 69.7 mt -63.62 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.046 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.28 -27.58 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.334 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -84.81 -38.29 19.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.562 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 132.58 13.36 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.226 -0.988 . . . . 10.0 113.622 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 6.9 tpp180 -64.01 -44.55 92.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.336 0.588 . . . . 10.0 109.971 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' C' ' 479' ' ' ASP . 51.1 mt -104.36 125.69 59.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.794 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -62.51 129.48 40.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.944 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.62 165.84 45.35 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.202 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.88 81.76 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.416 2.077 . . . . 10.0 111.803 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -82.29 113.61 45.19 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.083 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -69.33 100.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.233 1.955 . . . . 10.0 112.479 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.052 -0.975 . . . . 10.0 109.296 179.673 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -106.47 142.5 36.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.752 0.311 . . . . 10.0 111.097 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -126.48 154.15 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.723 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 66' ' ' THR . 79.3 m-85 -109.37 109.32 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.721 0.296 . . . . 10.0 110.781 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -96.12 118.11 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HD3' ' SD ' ' C' ' 467' ' ' MET . 20.2 tttp -96.34 140.51 30.9 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.62 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -119.08 166.88 12.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.138 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.58 -20.53 64.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.135 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.32 -1.49 57.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.088 0.471 . . . . 10.0 110.918 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.39 2.46 90.22 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.995 -0.622 . . . . 10.0 112.59 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -76.75 102.27 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.84 0.352 . . . . 10.0 110.569 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -80.85 108.82 14.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.99 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mt -101.23 120.89 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.201 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -95.11 117.96 31.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.2 mt -112.74 149.38 33.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.778 0.323 . . . . 10.0 111.536 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -97.79 112.27 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.571 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.31 179.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 mm-40 -136.92 156.69 75.73 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.77 -33.09 69.04 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 10.0 112.655 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -5.21 42.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.052 -0.522 . . . . 10.0 112.233 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -76.97 153.38 34.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.772 0.32 . . . . 10.0 110.598 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 p -101.09 151.57 21.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.251 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.75 -35.88 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.75 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -31.08 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.726 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.21 -36.18 61.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.932 -0.395 . . . . 10.0 109.932 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 22' ' ' THR . 61.1 t -60.11 -38.69 77.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.832 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 -36.73 82.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.754 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.93 86.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.236 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.125 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 99.8 mt -70.36 -37.87 72.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.423 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 7.5 tt0 -70.52 -27.41 64.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.479 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.43 -36.48 81.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.075 0.464 . . . . 10.0 110.338 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -91.15 -63.46 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.938 -0.574 . . . . 10.0 112.135 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.8 -39.2 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 97.66 -10.33 64.59 Favored Glycine 0 C--O 1.229 -0.212 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.674 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 124.22 81.57 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.442 0.121 . . . . 10.0 111.004 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.7 Cg_exo -53.63 139.28 67.23 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.902 2.401 . . . . 10.0 112.553 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -58.38 -25.92 75.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.066 2.511 . . . . 10.0 112.953 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -23.65 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 10.0 110.832 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.27 5.21 46.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.25 97.65 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.4 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 72' ' ' ARG . 46.7 mtp180 -98.3 99.47 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -84.72 121.95 28.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.199 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.06 136.13 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.555 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 50' ' ' LEU . 57.5 t80 -132.31 121.76 24.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.75 22.86 13.63 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.317 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 18.17 54.09 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.954 -0.641 . . . . 10.0 113.55 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -137.38 146.36 44.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.021 0.41 . . . . 10.0 110.482 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -77.4 148.8 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.565 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 45' ' ' PHE . 22.5 mt -103.41 146.44 28.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.675 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -90.41 143.76 26.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.861 0.362 . . . . 10.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.33 -29.43 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.276 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.7 32.31 5.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.9 -0.667 . . . . 10.0 112.995 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -129.01 168.58 15.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 10.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 20.2 p -110.4 172.85 6.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.149 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 18' ' ' GLU . 93.4 mt -69.61 -34.6 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.956 0.408 . . . . 10.0 110.587 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -14.96 62.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.996 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -68.34 -30.61 69.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.214 0.531 . . . . 10.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -110.98 13.28 22.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.349 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t30 59.5 35.33 22.77 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.323 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.5 mt -77.82 112.05 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.024 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -102.23 -163.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.308 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.93 149.85 41.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.765 0.317 . . . . 10.0 111.478 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 66.23 17.56 10.75 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.444 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -79.75 143.2 34.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -97.38 127.34 43.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 10.0 111.214 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.86 134.84 54.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -94.54 116.39 28.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.953 0.406 . . . . 10.0 110.978 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -93.07 93.44 8.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.287 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.08 133.41 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -92.5 158.51 15.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.792 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 2.8 ttt180 -134.15 128.76 34.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.957 0.408 . . . . 10.0 110.934 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -125.21 130.72 52.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.375 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -95.66 12.98 27.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.126 0.489 . . . . 10.0 110.711 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.74 132.37 7.21 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.614 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.889 -0.95 . . . . 10.0 111.84 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.434 0.159 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.32 23.38 13.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.747 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -41.78 95.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.348 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -66.78 -38.34 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 10.0 110.661 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.65 -40.71 84.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.263 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.88 -44.5 94.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.579 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.2 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 68.4 mtm -64.99 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.307 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.15 86.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -63.32 -35.0 78.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.148 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -58.33 -42.17 86.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.077 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 24.3 mt -75.31 -32.78 26.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.445 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -62.92 -31.36 72.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.711 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.13 -16.06 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.315 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.48 ' SD ' ' HD3' ' A' ' 6' ' ' LYS . 55.5 mmm -88.11 -45.81 9.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.076 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.466 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.1 m-85 -117.77 95.49 48.0 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.514 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.21 32.08 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.71 2.274 . . . . 10.0 112.901 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -145.59 30.73 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.467 . . . . 10.0 110.805 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.466 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.4 p -132.4 130.8 21.99 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.208 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.88 123.74 14.17 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.455 2.103 . . . . 10.0 111.826 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -55.53 -37.83 68.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.303 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -67.05 -29.05 68.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 10.0 111.098 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.4 -28.25 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.62 -41.54 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.879 -0.786 . . . . 10.0 108.879 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.21 -28.04 69.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -64.92 -54.87 23.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.414 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.3 t70 -66.01 -33.46 75.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.802 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.6 OUTLIER -61.39 -27.32 68.45 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.281 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -86.17 -19.84 29.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 10.0 110.263 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.62 -68.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.21 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 70.2 p -73.68 -40.67 63.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.775 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 24.1 mtm180 67.51 19.3 9.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 48.2 m -137.31 111.24 8.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.799 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 20.0 m -54.81 -29.5 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.523 . . . . 10.0 112.145 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.05 -34.65 78.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.277 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.4 mt -88.9 -31.28 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.16 0.505 . . . . 10.0 110.65 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.541 HG23 ' HB3' ' C' ' 479' ' ' ASP . 44.2 m -62.12 -50.86 70.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.424 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -62.98 -36.68 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.014 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.01 -39.87 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -56.07 -33.56 65.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.758 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.413 HG13 ' O ' ' C' ' 489' ' ' THR . 51.4 mt -66.55 -44.0 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 34.4 mt -68.74 -30.16 68.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.357 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -74.46 -27.96 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.59 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.04 9.37 22.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.386 -0.912 . . . . 10.0 113.33 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -67.35 -51.92 46.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.13 0.49 . . . . 10.0 109.903 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.5 125.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.571 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -75.73 112.75 12.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.444 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.01 160.78 82.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.85 118.99 5.94 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.619 2.213 . . . . 10.0 112.62 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -128.51 133.03 24.72 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.486 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.65 100.56 0.34 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.419 2.079 . . . . 10.0 111.986 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.425 -0.798 . . . . 10.0 110.182 -179.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -106.75 140.11 40.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 10.0 111.355 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -125.22 167.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.914 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -116.64 116.56 27.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 15' ' ' LEU . 55.5 t -103.06 119.51 51.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -100.4 146.05 27.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.854 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.07 165.34 17.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.402 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.4 mt -66.47 -11.82 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.031 0.443 . . . . 10.0 111.308 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -0.21 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 10.0 110.561 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.67 33.11 58.54 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.651 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -120.26 139.0 53.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.79 0.329 . . . . 10.0 110.583 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.44 116.12 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.85 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.03 132.78 46.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.05 130.9 36.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 5' ' ' VAL . 82.7 mt -133.53 145.51 50.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.971 0.415 . . . . 10.0 110.958 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 118.74 33.74 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.767 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.22 172.27 12.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -135.05 158.23 75.29 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.88 -27.67 64.11 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.438 2.092 . . . . 10.0 112.628 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 -0.5 57.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.196 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.6 152.29 31.89 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 m -99.84 146.41 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.975 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.95 -42.56 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.153 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.58 -34.89 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -73.23 -35.1 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.605 -0.517 . . . . 10.0 109.605 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 48.0 t -64.89 -43.26 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.925 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -62.07 -36.83 82.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.119 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.74 92.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.017 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.75 -37.0 85.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.692 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.8 -35.97 72.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.037 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -69.54 -40.93 76.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.478 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.32 -33.16 74.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -86.28 -67.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.564 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -77.34 -30.2 53.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.53 44.05 6.29 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.237 -0.983 . . . . 10.0 111.873 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.31 126.24 28.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 110.579 -0.156 . . . . 10.0 110.579 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.7 Cg_exo -55.7 132.04 49.68 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.558 2.172 . . . . 10.0 111.864 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 35.8 Cg_exo -58.68 -23.48 66.06 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.918 2.412 . . . . 10.0 112.566 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.29 -46.49 86.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.429 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -87.35 3.29 47.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.683 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 52.5 mt-30 -84.26 89.38 7.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.829 0.347 . . . . 10.0 110.86 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -91.9 97.85 11.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.567 -0.901 . . . . 10.0 108.567 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.46 133.04 34.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.795 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.31 138.3 54.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -127.04 121.06 30.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.866 -0.79 . . . . 10.0 108.866 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.91 -51.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.949 0.78 . . . . 10.0 111.312 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.24 20.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.171 -0.538 . . . . 10.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -141.83 156.25 45.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.769 0.285 . . . . 10.0 110.377 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.61 154.87 29.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.4 0.438 . . . . 10.0 111.072 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.2 mt -108.8 144.45 36.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.077 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 43.6 mt-10 -90.88 148.31 22.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.449 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 10.0 112.213 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.63 54.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.485 -0.864 . . . . 10.0 113.0 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 29.9 mmt180 -119.12 157.87 27.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -98.41 174.44 6.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.514 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.68 -28.85 68.05 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.253 0.549 . . . . 10.0 110.042 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -71.88 -25.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.198 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.16 -26.67 68.63 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.131 0.491 . . . . 10.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.77 9.25 22.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.933 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.4 t30 54.92 40.66 32.1 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 114.879 -1.055 . . . . 10.0 111.396 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.0 mt -72.09 115.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.43 . . . . 10.0 109.922 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.81 -178.93 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.742 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.87 150.68 39.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.032 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 68.67 15.63 9.04 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.437 0.461 . . . . 10.0 111.746 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -78.77 155.68 29.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 10.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -109.05 134.27 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.41 144.55 43.64 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -104.79 128.49 52.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.696 0.284 . . . . 10.0 110.462 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 109.51 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.012 0.434 . . . . 10.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.99 124.18 52.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.033 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -81.58 114.99 20.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -95.93 146.6 24.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.08 0.467 . . . . 10.0 112.01 -178.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -143.27 157.38 44.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.057 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -96.54 -43.57 7.54 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.838 -0.345 . . . . 10.0 110.458 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.18 -179.91 19.66 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.843 -0.694 . . . . 10.0 111.743 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.313 -1.271 . . . . 10.0 111.807 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.397 0.141 . . . . 10.0 110.715 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 65.25 22.51 12.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.712 0.405 . . . . 10.0 110.692 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -56.5 8.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.118 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -66.54 -33.49 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.56 -42.63 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.673 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -67.72 -44.55 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.46 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.547 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.2 mtm -65.39 -39.21 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.33 81.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 10.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -64.56 -31.83 73.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.35 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.061 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 63.2 mt -73.07 -41.21 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.277 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -61.7 -30.27 70.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.044 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.281 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.437 ' O ' ' HD3' ' C' ' 469' ' ' PRO . 8.3 mtm -102.44 -40.68 6.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.944 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -109.93 95.19 19.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.326 . . . . 10.0 110.908 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' C' ' 467' ' ' MET . 82.3 Cg_endo -88.86 27.52 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.837 2.358 . . . . 10.0 111.886 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -133.32 21.89 4.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.324 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 9.4 p -129.95 130.92 23.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.283 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.49 ' HG2' HD12 ' C' ' 475' ' ' LEU . 40.8 Cg_exo -58.46 118.02 4.83 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.418 2.079 . . . . 10.0 111.911 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.01 -42.17 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 10.0 112.074 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -62.96 -27.98 69.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.635 0.255 . . . . 10.0 111.494 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.49 HD12 ' HG2' ' C' ' 472' ' ' PRO . 49.4 mt -84.9 -23.41 28.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.785 0.326 . . . . 10.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 472' ' ' PRO . 57.4 t -69.17 -42.68 81.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.94 -23.08 66.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.79 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.42 -58.59 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.737 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' C' ' 489' ' ' THR . 17.7 t70 -70.54 -30.24 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.722 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -32.07 65.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.105 0.479 . . . . 10.0 110.823 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.06 -6.97 59.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.168 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.96 -37.34 6.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.666 -0.243 . . . . 10.0 111.642 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 7.9 p -97.61 -33.89 11.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.662 0.267 . . . . 10.0 111.569 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.31 26.1 15.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.475 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 110.99 5.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.784 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 4.9 m -57.02 -32.27 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.814 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.11 -52.1 60.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 60.1 mt -66.25 -36.24 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.916 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.487 ' O ' HG13 ' C' ' 493' ' ' ILE . 53.2 m -62.71 -57.98 9.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 3.4 m -57.64 -41.09 80.72 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.239 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.613 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 36.7 t70 -62.54 -45.94 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 10.0 110.368 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.0 -35.21 79.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.982 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.487 HG13 ' O ' ' C' ' 489' ' ' THR . 98.8 mt -62.06 -41.84 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.97 -35.59 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.714 . . . . 10.0 110.491 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.67 -44.31 61.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.251 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.34 46.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.348 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 497' ' ' ARG . 1.3 tpp180 -87.98 -39.21 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.359 0.6 . . . . 10.0 109.996 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.447 HG23 HD13 ' C' ' 475' ' ' LEU . 70.4 mt -110.7 143.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.878 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -69.16 116.37 9.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.084 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.96 160.66 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.39 79.38 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.824 2.349 . . . . 10.0 112.162 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -86.33 134.01 39.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.388 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -64.04 117.2 4.23 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.455 2.103 . . . . 10.0 111.733 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.003 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -107.54 143.76 35.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.28 . . . . 10.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.3 162.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.625 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -121.61 114.07 20.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 10.0 110.808 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -100.05 121.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.804 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -100.45 134.82 42.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.833 0.349 . . . . 10.0 110.958 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 161.36 15.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.393 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.67 -15.41 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.424 . . . . 10.0 111.229 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 0.14 28.29 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.54 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.05 35.79 43.02 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -121.88 138.63 54.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.307 -0.446 . . . . 10.0 110.519 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 109.05 18.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.76 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -96.94 124.77 49.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.09 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -90.66 139.38 30.77 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 30' ' ' ILE . 29.7 mt -139.67 149.81 44.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.106 0.479 . . . . 10.0 111.365 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -96.78 114.62 26.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.324 -0.853 . . . . 10.0 108.789 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.6 m -135.46 156.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.823 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 24.7 mm-40 -110.8 162.47 20.54 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.52 -35.23 85.06 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.154 1.902 . . . . 10.0 112.764 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -92.41 20.04 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.718 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -76.86 125.23 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 10.0 110.425 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.65 142.15 46.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.208 179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.5 -43.84 65.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.525 0.202 . . . . 10.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.22 -38.72 84.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.455 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.43 -39.45 92.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.297 -0.411 . . . . 10.0 109.959 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 60.4 t -63.91 -41.35 92.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.101 -0.499 . . . . 10.0 109.662 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -64.26 -33.33 75.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.43 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.802 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.21 -35.95 81.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.505 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 15' ' ' LEU . 49.2 mt -72.77 -36.01 51.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -62.72 -32.42 73.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.297 -0.865 . . . . 10.0 110.044 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.97 -39.54 55.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -76.99 -56.82 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 34' ' ' GLU . 5.6 mm-40 -88.51 -41.48 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.42 2.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.178 -1.011 . . . . 10.0 111.826 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.2 mt -118.21 125.27 28.01 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 53.1 Cg_exo -54.61 139.14 76.13 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.663 2.242 . . . . 10.0 112.416 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -58.94 -28.29 87.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.908 2.405 . . . . 10.0 113.231 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.78 -11.97 59.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.9 0.381 . . . . 10.0 110.595 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -104.62 -6.15 20.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.498 0.666 . . . . 10.0 109.656 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.94 118.56 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.107 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -113.03 104.29 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.176 -0.675 . . . . 10.0 109.176 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.24 126.21 33.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.974 0.416 . . . . 10.0 111.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -123.85 143.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.093 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -138.15 120.01 15.34 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.41 8.57 4.35 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.71 0.632 . . . . 10.0 112.008 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.35 -14.49 20.73 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.963 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -104.62 160.69 14.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.911 0.355 . . . . 10.0 110.45 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.57 147.2 25.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.991 0.424 . . . . 10.0 112.018 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -99.91 125.44 45.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.17 132.12 39.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.633 0.254 . . . . 10.0 111.062 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.84 -43.65 66.17 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.874 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.06 43.72 3.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.085 -0.579 . . . . 10.0 113.169 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -138.13 170.65 15.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.3 p -112.45 171.19 7.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.559 -0.292 . . . . 10.0 110.689 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.15 -30.4 70.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.903 0.382 . . . . 10.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -21.57 63.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.5 m-20 -60.09 -38.51 83.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.241 0.543 . . . . 10.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -106.46 11.42 30.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.362 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 56.02 41.01 30.23 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.206 -0.907 . . . . 10.0 111.683 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.61 132.51 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.476 -0.564 . . . . 10.0 109.476 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -107.44 -170.55 1.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.439 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -81.35 152.31 27.57 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.02 -0.272 . . . . 10.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 65.22 21.07 12.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.666 -0.697 . . . . 10.0 111.79 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -80.01 157.57 26.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.2 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -102.99 116.28 32.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.045 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.37 139.73 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.505 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 47.6 m80 -102.18 122.85 44.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.748 0.309 . . . . 10.0 110.72 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.1 tp -102.2 102.53 12.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.042 0.449 . . . . 10.0 110.166 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG13 ' HB ' ' C' ' 490' ' ' THR . 4.2 t -84.08 131.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.06 151.04 23.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.849 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -133.96 141.19 47.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.756 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -120.46 152.22 38.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.781 0.324 . . . . 10.0 110.152 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -91.99 -16.17 26.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.47 0.652 . . . . 10.0 109.388 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.41 140.41 6.26 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.098 -0.955 . . . . 10.0 110.903 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.176 -1.347 . . . . 10.0 111.488 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 120.514 0.197 . . . . 10.0 110.758 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 65.68 14.34 9.46 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.103 0.561 . . . . 10.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m -67.03 -43.35 83.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.576 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.1 -35.03 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.74 -42.87 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 10.0 109.853 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.77 -43.13 97.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.596 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.33 96.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.689 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 51.4 mtm -63.62 -43.92 95.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.837 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.62 94.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.624 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -63.08 -35.54 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.721 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.27 -36.03 82.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.98 0.419 . . . . 10.0 109.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.415 HD11 HG12 ' C' ' 486' ' ' VAL . 64.2 mt -73.78 -33.27 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.936 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.37 -24.09 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.316 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.18 -18.79 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.044 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.518 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.9 mmm -92.35 -46.23 7.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.933 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' C' ' 471' ' ' VAL . 61.3 m-85 -114.84 96.04 43.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -86.82 29.91 0.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.728 2.285 . . . . 10.0 112.304 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.01 16.83 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.113 0.482 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.9 p -118.08 134.16 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.316 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.86 124.94 15.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.331 2.021 . . . . 10.0 111.559 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -54.29 -39.31 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 10.0 112.243 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.11 -24.18 65.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.585 0.231 . . . . 10.0 111.39 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.3 mt -80.73 -29.75 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.4 -39.29 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.76 -27.37 69.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.488 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.76 -50.39 71.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.649 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.48 -34.72 76.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 10.0 110.208 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' C' ' 484' ' ' ARG . 1.3 mm? -60.64 -28.94 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.011 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.48 -11.94 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.905 0.383 . . . . 10.0 110.825 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.32 -56.01 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.593 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.0 p -87.63 -40.4 14.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.749 -0.205 . . . . 10.0 111.313 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' C' ' 480' ' ' LEU . 0.0 OUTLIER 66.27 22.31 10.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.499 -179.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.83 112.79 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.079 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.415 HG12 HD11 ' C' ' 464' ' ' ILE . 27.1 m -58.52 -28.06 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.564 . . . . 10.0 112.325 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -19.23 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 10.0 111.194 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.4 -34.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 10.0 110.047 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 46.2 m -56.66 -47.56 79.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.001 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 70' ' ' VAL . 2.6 p -60.07 -45.44 92.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.695 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 24.0 t70 -68.88 -42.08 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.374 . . . . 10.0 110.121 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.31 -43.9 75.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 10.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.43 -43.86 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.796 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 70' ' ' VAL . 20.9 mt -64.05 -28.06 69.53 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 111.945 0.35 . . . . 10.0 111.945 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 10.9 mm-40 -79.28 -13.21 59.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 10.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 89.81 22.47 36.19 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.656 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -72.52 -43.42 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -90.3 127.68 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.642 . . . . 10.0 109.268 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.0 123.81 21.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.917 0.389 . . . . 10.0 111.337 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.42 166.02 48.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.351 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.12 85.33 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 10.0 111.788 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -85.14 129.45 55.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.734 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.13 92.66 0.81 Allowed 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.754 2.302 . . . . 10.0 111.78 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 117.806 -1.093 . . . . 10.0 109.587 -179.478 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.802 0.334 . . . . 10.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -95.39 139.18 32.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.801 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.76 155.61 41.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.1 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 89.5 m-85 -116.48 119.17 34.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.74 114.61 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.928 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -90.93 140.81 29.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.358 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -116.35 167.7 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.075 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.51 -26.26 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 10.0 111.196 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -20.89 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.446 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.44 -27.22 12.78 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.417 -0.673 . . . . 10.0 111.417 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -58.45 121.91 12.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.209 -0.496 . . . . 10.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -101.85 107.34 18.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.268 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -84.97 144.91 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.073 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.64 138.61 44.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.34 152.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.169 0.509 . . . . 10.0 111.86 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -102.91 111.31 23.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.88 . . . . 10.0 109.625 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.44 169.22 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 10.0 110.934 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 70.1 mm-40 -117.05 152.45 48.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.793 -0.817 . . . . 10.0 108.793 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.11 -35.76 63.39 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.369 2.046 . . . . 10.0 113.14 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -87.84 9.97 20.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -74.64 142.39 44.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.37 145.3 32.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.348 . . . . 10.0 111.077 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.7 -40.24 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -59.73 -40.65 88.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.759 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -63.4 -38.61 91.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.884 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 30' ' ' ILE . 53.0 t -60.53 -44.82 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.91 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -62.45 -37.32 85.43 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.288 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.17 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.16 -38.9 92.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.244 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 26' ' ' VAL . 55.8 mt -68.13 -40.59 83.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 108.775 -0.824 . . . . 10.0 108.775 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.83 -35.27 74.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.251 -0.886 . . . . 10.0 110.516 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.04 -17.11 62.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.138 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -101.82 -50.75 3.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.221 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.24 -41.13 20.64 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.83 4.91 56.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.635 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mt -85.3 127.17 64.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.774 -0.213 . . . . 10.0 110.455 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.02 146.53 86.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.789 2.326 . . . . 10.0 112.268 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.84 -26.0 64.51 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.042 2.495 . . . . 10.0 112.994 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.2 -24.64 64.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.603 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 12.0 mt-30 -105.11 19.18 21.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.023 0.44 . . . . 10.0 110.567 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -119.8 113.51 20.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.611 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 38.6 mtp180 -116.0 115.11 25.57 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.9 125.78 39.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 111.418 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.43 138.8 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.679 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HB3' HD21 ' A' ' 50' ' ' LEU . 72.7 t80 -144.13 133.68 23.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.766 . . . . 10.0 109.091 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 26.53 16.27 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.043 0.449 . . . . 10.0 111.267 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.86 12.94 82.12 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.978 -0.555 . . . . 10.0 113.487 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -133.04 155.61 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.007 0.404 . . . . 10.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.86 146.98 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.829 0.347 . . . . 10.0 110.25 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.8 mt -91.98 138.54 31.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.634 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.77 134.97 33.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.242 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.55 -34.81 69.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.544 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.38 37.87 3.28 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.716 -0.754 . . . . 10.0 113.019 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -137.51 163.74 30.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -106.21 165.98 10.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.271 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 18' ' ' GLU . 42.4 mt -62.76 -33.52 75.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 10.0 110.918 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -24.85 67.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.706 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.1 -41.9 98.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.078 0.466 . . . . 10.0 111.525 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -96.08 12.34 30.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.961 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 63.03 31.05 16.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.671 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -74.23 109.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.287 0.565 . . . . 10.0 109.511 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -95.43 -176.4 3.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -70.98 150.45 45.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.757 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 67.36 21.87 9.64 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.199 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -86.24 153.01 22.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.4 m -103.38 126.61 50.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.995 0.426 . . . . 10.0 111.217 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.7 mt -106.55 140.95 38.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.705 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -99.1 113.61 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.367 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.3 tp -98.91 109.37 22.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.175 0.512 . . . . 10.0 110.576 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 83.6 t -94.06 123.46 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.713 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.6 111.62 18.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -98.36 154.03 18.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.123 0.487 . . . . 10.0 112.051 -178.076 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.72 166.39 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 15.3 mmt180 -101.35 -18.89 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 10.0 110.594 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.41 149.88 19.03 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.499 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.255 -1.303 . . . . 10.0 111.727 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.448 0.166 . . . . 10.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 64.54 24.59 13.09 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.693 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.25 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.296 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -67.12 -37.3 83.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.058 0.456 . . . . 10.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.48 -36.99 79.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.961 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.28 -45.17 94.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.09 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.728 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.18 -39.99 78.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.694 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.79 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 10.0 110.012 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -28.35 69.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.517 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -63.35 -48.4 78.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.27 0.557 . . . . 10.0 109.52 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.69 -36.09 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.423 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.73 -32.91 73.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.31 -24.57 50.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.324 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 39.3 mmm -84.72 -51.78 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -111.95 95.22 28.18 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.274 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.76 25.58 0.69 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.86 2.373 . . . . 10.0 112.249 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -125.55 19.34 8.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.833 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.04 132.09 23.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.452 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.404 ' O ' HG23 ' C' ' 476' ' ' VAL . 38.9 Cg_exo -58.8 133.56 54.72 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.667 2.245 . . . . 10.0 112.427 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -56.53 -39.42 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.722 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -67.1 -25.77 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 10.0 111.209 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.7 mt -78.42 -33.72 48.44 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 472' ' ' PRO . 26.0 t -67.22 -44.21 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 10.0 109.571 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.98 -31.2 72.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.467 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.06 -48.63 80.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.95 -34.45 62.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.727 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.66 67.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.64 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -87.33 4.74 41.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.277 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' C' ' 482' ' ' LEU . 0.2 OUTLIER -116.98 -51.56 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 10.0 111.152 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -87.84 -33.06 18.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.642 0.258 . . . . 10.0 111.476 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 59.9 29.7 19.26 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.326 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 28.7 t -152.62 108.85 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.832 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.11 -31.15 25.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.831 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -55.05 31.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 56.5 mt -64.05 -34.34 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' C' ' 493' ' ' ILE . 74.7 m -63.59 -61.6 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.612 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -56.49 -38.84 72.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.826 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.502 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 26.3 t0 -66.93 -44.18 81.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.229 0.538 . . . . 10.0 110.236 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 4.0 m-80 -66.42 -27.39 67.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.578 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' C' ' 489' ' ' THR . 76.8 mt -63.67 -39.9 87.08 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 8.1 mt -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -85.67 -44.11 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.82 0.15 2.3 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.229 -0.986 . . . . 10.0 113.13 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 21.8 tpp180 -57.71 -52.41 65.54 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.255 0.55 . . . . 10.0 109.6 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -92.9 113.67 28.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.358 -0.978 . . . . 10.0 108.358 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -60.82 110.22 1.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.992 0.425 . . . . 10.0 110.506 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.8 156.53 45.3 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.067 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.7 102.74 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.738 2.292 . . . . 10.0 112.46 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.76 128.73 28.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.652 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -66.34 93.85 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.49 2.127 . . . . 10.0 112.135 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.212 -0.899 . . . . 10.0 109.518 179.388 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.658 0.266 . . . . 10.0 110.325 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -103.36 130.95 50.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.844 0.354 . . . . 10.0 111.339 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -127.46 166.55 24.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.929 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -123.34 124.38 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 10.0 111.033 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.43 125.11 53.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.108 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -104.69 123.92 48.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.451 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.5 p -101.41 158.6 15.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.867 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' C' ' 487' ' ' GLU . 50.9 mt -67.46 -5.15 13.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.025 0.44 . . . . 10.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.18 0.06 57.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.585 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.85 1.83 89.79 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.669 0.271 . . . . 10.0 110.741 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -106.41 131.0 54.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.984 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.6 mt -122.41 126.71 74.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.94 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -86.31 117.09 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -111.31 141.65 44.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 10.0 112.095 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -94.56 110.53 22.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.977 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 m -138.43 179.88 2.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.498 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -143.99 158.65 55.29 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.86 -22.75 24.84 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.799 2.333 . . . . 10.0 113.34 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -5.03 59.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.017 0.377 . . . . 10.0 112.017 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.74 144.04 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.809 0.338 . . . . 10.0 110.57 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -91.69 159.75 15.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 -36.24 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 10.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.987 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.19 -37.47 85.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.408 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 61.8 t -62.58 -42.91 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.077 -0.51 . . . . 10.0 109.868 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -59.44 -39.9 85.07 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.722 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.61 -39.08 93.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -68.13 -33.74 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -70.03 -43.05 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.892 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -63.0 -34.4 77.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.29 -29.98 67.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.424 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -101.87 -52.27 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.164 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -76.2 -40.74 51.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.43 11.41 60.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.632 -0.794 . . . . 10.0 112.202 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.04 127.15 46.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.6 Cg_exo -57.48 134.52 63.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.147 2.565 . . . . 10.0 112.92 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.8 Cg_exo -55.0 -24.7 41.01 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.408 2.739 . . . . 10.0 113.599 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.0 -25.49 68.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.821 0.343 . . . . 10.0 111.842 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -103.82 3.02 33.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 10.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -92.34 107.84 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.262 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 22.2 mtp180 -102.13 103.09 13.62 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.08 125.6 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG21 ' CZ ' ' C' ' 468' ' ' PHE . 2.1 mp -122.76 141.79 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.819 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.818 ' HB3' HD21 ' A' ' 50' ' ' LEU . 78.1 t80 -139.85 125.65 19.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.12 10.22 6.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.93 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.31 -13.27 30.91 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.687 -0.768 . . . . 10.0 113.763 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -114.58 154.71 27.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.403 0.601 . . . . 10.0 111.205 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.46 146.35 34.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.059 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 45' ' ' PHE . 16.2 mt -96.43 138.64 33.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.984 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.9 mt-10 -82.35 136.34 35.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.847 0.356 . . . . 10.0 111.024 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.33 -27.38 69.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 10.0 112.176 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.54 5.05 85.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.82 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 34.7 mmt180 -109.96 167.5 10.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 117.108 0.454 . . . . 10.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 76.0 p -102.42 173.44 6.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -66.29 -31.22 71.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.171 0.51 . . . . 10.0 110.205 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.2 m -70.82 -23.38 62.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.003 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' THR . 4.4 m-20 -64.31 -24.07 67.52 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.117 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -113.56 13.2 18.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.44 32.42 18.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.203 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.38 117.02 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -109.24 -160.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.079 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -77.94 160.64 28.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.521 -0.177 . . . . 10.0 110.521 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 65.44 8.92 5.36 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.903 0.752 . . . . 10.0 112.023 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -79.64 148.41 31.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.675 0.274 . . . . 10.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -104.93 117.08 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.329 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.81 127.94 44.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -91.48 127.29 36.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.749 0.309 . . . . 10.0 110.867 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -109.29 112.82 25.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.823 0.344 . . . . 10.0 110.76 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 94.2 t -105.97 135.51 43.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.43 122.69 39.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.14 136.6 35.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.546 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.4 118.65 22.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.998 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -90.95 37.59 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.009 0.433 . . . . 10.0 110.783 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.07 106.58 0.3 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.137 -0.554 . . . . 10.0 111.742 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 119.134 -0.815 . . . . 10.0 111.236 179.78 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.554 0.216 . . . . 10.0 110.807 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.19 17.24 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.799 0.44 . . . . 10.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -49.66 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.335 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -62.76 -39.29 93.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 457' ' ' LEU . 12.9 mt -65.36 -40.9 94.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.653 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -66.11 -43.08 88.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 10.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.41 81.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.613 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.14 -42.94 62.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.51 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.33 90.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.379 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.82 -34.18 71.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.368 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -61.16 -40.63 94.6 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.44 -40.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.418 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -62.58 -25.83 68.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.942 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.19 -5.97 58.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.787 0.327 . . . . 10.0 111.217 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 36.4 mtm -116.85 -36.09 3.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.123 0.487 . . . . 10.0 110.216 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 49.8 m-85 -112.5 95.36 31.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.023 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.8 20.4 1.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.705 2.27 . . . . 10.0 112.832 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -129.64 23.48 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.908 0.385 . . . . 10.0 111.432 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.52 129.43 23.84 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.507 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 49.1 Cg_exo -57.37 115.82 2.78 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 10.0 112.464 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -53.85 -39.35 65.57 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.041 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 43.9 p-80 -64.34 -28.93 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.692 0.282 . . . . 10.0 111.579 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 37.6 mt -81.33 -33.67 32.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.09 -42.28 96.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 9.1 mt -64.76 -30.3 71.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.575 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.14 -46.3 74.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.661 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.61 -39.42 84.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.806 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.41 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -54.7 -29.7 53.83 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.892 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.1 mt-30 -71.94 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.349 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.02 -49.82 3.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.229 0.455 . . . . 10.0 112.229 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 1.7 p -73.17 -42.58 62.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.053 0.39 . . . . 10.0 112.053 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 68.8 mtt85 65.02 17.39 11.06 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.482 0.489 . . . . 10.0 111.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -150.79 116.53 5.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 7.9 m -55.0 -26.41 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 123.6 0.563 . . . . 10.0 111.6 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.1 mt-10 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.085 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.14 -30.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.648 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.467 ' O ' HG13 ' C' ' 493' ' ' ILE . 56.3 m -62.43 -54.06 45.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.233 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.5 m -64.01 -36.5 84.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.785 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -41.83 95.59 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.54 -40.5 91.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.223 -0.899 . . . . 10.0 109.985 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.467 HG13 ' O ' ' C' ' 489' ' ' THR . 81.1 mt -67.24 -43.85 87.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.171 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 65.8 mt -62.15 -40.26 95.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.123 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.95 -37.36 87.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.428 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 117.87 25.26 3.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.402 -0.904 . . . . 10.0 113.298 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -26.88 33.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.153 0.502 . . . . 10.0 110.202 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.36 133.95 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.542 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -68.25 105.6 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.06 0.457 . . . . 10.0 111.309 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.63 161.54 63.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.232 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.285 1.99 . . . . 10.0 112.155 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -120.2 131.27 24.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.885 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.46 100.09 0.39 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.628 2.219 . . . . 10.0 112.085 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.254 1.31 0 CA-C-O 117.775 -1.107 . . . . 10.0 109.765 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -106.07 138.15 42.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.046 0.451 . . . . 10.0 111.222 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.28 147.95 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.749 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -103.31 112.11 24.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.72 0.295 . . . . 10.0 110.697 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -103.17 119.73 52.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -103.62 144.33 31.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.852 0.358 . . . . 10.0 110.578 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -114.82 164.33 14.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.648 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 ' HG3' ' C' ' 467' ' ' MET . 29.0 mt -64.2 -25.21 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.956 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -13.55 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.365 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.64 -0.93 56.78 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.595 -0.812 . . . . 10.0 112.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -82.61 135.62 35.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.798 0.332 . . . . 10.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -114.77 115.16 26.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.619 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.5 127.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.368 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -93.39 121.59 34.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -111.22 148.67 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 10.0 111.609 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -98.24 109.6 22.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.567 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.89 179.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.888 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 56' ' ' LEU . 52.8 mm-40 -138.8 159.75 65.92 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.68 -36.15 49.87 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.813 2.342 . . . . 10.0 113.711 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.45 11.52 5.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.862 0.69 . . . . 10.0 112.862 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -86.0 146.03 26.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.887 0.375 . . . . 10.0 110.801 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -91.33 148.63 22.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.354 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.26 -37.64 78.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.257 0.551 . . . . 10.0 109.611 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.82 -37.18 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.965 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -70.91 -33.5 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.454 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 22' ' ' THR . 90.0 t -62.36 -40.67 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 82.5 mttt -58.75 -40.59 84.31 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.477 -0.783 . . . . 10.0 110.852 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.89 94.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -67.39 -38.16 84.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.291 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.36 -41.77 93.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.098 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -67.91 -32.31 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.65 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.71 -28.97 68.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -100.82 -60.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.046 0.387 . . . . 10.0 112.046 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.18 -47.33 28.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 10.0 111.163 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.96 3.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.116 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.6 mt -114.57 127.89 26.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 52.4 Cg_exo -54.11 135.74 65.28 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.593 2.196 . . . . 10.0 112.201 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.6 Cg_exo -57.14 -28.56 79.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.924 2.416 . . . . 10.0 112.843 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -22.42 62.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.129 0.49 . . . . 10.0 110.939 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' ARG . 2.6 mt-30 -96.43 -5.58 39.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.811 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 27' ' ' LYS . 76.9 mt-30 -90.25 111.18 22.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.607 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -112.22 95.25 5.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -82.17 131.9 35.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.85 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.79 138.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.111 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.4 t80 -138.8 125.68 21.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.96 14.93 8.8 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.55 0.531 . . . . 10.0 111.773 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.73 57.38 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.838 -0.696 . . . . 10.0 112.783 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.78 148.07 35.57 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.599 -0.353 . . . . 10.0 110.654 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.25 141.74 35.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.867 0.365 . . . . 10.0 110.467 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 45' ' ' PHE . 43.3 mt -90.95 144.15 25.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.32 148.63 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.575 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.08 -40.17 94.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.233 0.54 . . . . 10.0 110.356 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.2 50.99 3.95 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.569 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -145.34 157.88 43.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.0 p -106.94 167.07 10.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 18' ' ' GLU . 79.8 mt -64.57 -31.48 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.099 0.476 . . . . 10.0 109.896 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -25.23 65.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.667 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.41 -42.56 96.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.013 0.435 . . . . 10.0 111.112 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -94.61 5.85 50.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.229 0.538 . . . . 10.0 109.581 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.25 40.51 24.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.603 -1.181 . . . . 10.0 111.515 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.0 mt -75.95 112.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.011 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.74 -168.93 1.85 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.782 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -77.45 158.37 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.618 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.07 14.27 9.76 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -83.26 157.24 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.724 0.297 . . . . 10.0 110.382 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -111.76 127.64 55.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.34 139.81 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.923 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 48.4 m80 -99.07 124.35 44.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.792 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -105.99 108.32 19.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.471 . . . . 10.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -96.28 136.4 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.614 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.3 110.93 22.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.153 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 9.8 ttt180 -86.77 157.05 19.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.849 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -135.53 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.903 0.382 . . . . 10.0 110.665 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -101.09 -9.48 21.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.145 0.498 . . . . 10.0 110.0 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.22 166.34 17.26 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.417 -0.811 . . . . 10.0 111.439 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.272 -1.293 . . . . 10.0 111.537 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.558 0.218 . . . . 10.0 111.095 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 64.98 19.88 11.97 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.706 0.402 . . . . 10.0 111.775 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.25 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 10.0 111.007 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -72.66 -34.49 67.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.418 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.27 -42.71 71.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.364 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.33 -45.83 92.81 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.708 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' C' ' 463' ' ' GLN . . . -61.83 -46.9 87.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.002 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.13 -37.4 85.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.653 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.86 89.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.71 0.29 . . . . 10.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.86 -31.34 72.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.359 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' C' ' 459' ' ' ALA . 16.0 mm100 -59.2 -41.43 88.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.195 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.05 -32.59 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.488 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.67 -36.59 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.19 -17.25 59.61 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.719 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.571 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 62.0 mmm -90.3 -44.54 9.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 10.0 109.95 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG12 ' C' ' 471' ' ' VAL . 1.7 m-85 -115.0 96.84 46.28 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.428 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -82.2 22.26 0.89 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.728 2.285 . . . . 10.0 112.739 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -133.57 20.86 3.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.002 0.429 . . . . 10.0 110.985 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.44 HG12 ' O ' ' C' ' 468' ' ' PHE . 13.2 p -123.86 131.13 24.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 33.8 Cg_exo -62.71 129.46 26.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.471 2.114 . . . . 10.0 111.703 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -55.84 -39.16 71.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.685 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -64.82 -24.93 67.7 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.542 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 475' ' ' LEU . 14.1 mt -79.79 -37.27 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.92 -41.9 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.403 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.8 -34.57 73.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.991 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.5 -53.46 42.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.347 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.437 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.5 t70 -63.63 -37.98 89.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 10.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -26.99 67.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.893 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.48 -20.62 43.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 10.0 110.728 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -97.27 -58.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.946 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 53.6 p -78.35 -39.26 39.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.665 0.269 . . . . 10.0 111.224 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 61.11 36.42 18.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.601 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.7 t -151.78 111.68 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.66 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.9 m -53.69 -32.42 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.07 -58.35 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.574 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.38 -27.1 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.462 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.437 HG23 ' HB3' ' C' ' 479' ' ' ASP . 89.0 m -68.62 -54.91 13.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.865 0.364 . . . . 10.0 111.078 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.2 m -62.83 -34.22 76.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.093 0.473 . . . . 10.0 109.998 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 13.1 t0 -68.33 -41.07 81.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.916 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -55.33 -45.85 76.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.353 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.3 mt -62.78 -42.76 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.524 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.627 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' C' ' 495' ' ' GLU . 5.0 mm-40 -72.48 -27.08 62.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.271 . . . . 10.0 111.078 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 108.9 26.27 5.34 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.266 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.78 -48.07 34.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.118 0.485 . . . . 10.0 109.811 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.39 117.95 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.703 -0.681 . . . . 10.0 109.225 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -64.12 115.4 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.756 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.78 159.5 83.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.316 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.93 102.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.808 2.339 . . . . 10.0 112.596 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.457 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 53.5 t80 -92.04 138.6 24.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.341 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 37.8 Cg_endo -69.26 73.66 1.12 Allowed 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.979 2.453 . . . . 10.0 112.954 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.272 -0.87 . . . . 10.0 109.501 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -95.06 138.79 32.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.034 0.445 . . . . 10.0 111.933 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.29 156.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.587 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.4 m-85 -113.19 100.43 8.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.864 0.364 . . . . 10.0 111.171 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -87.09 121.93 38.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -111.38 139.65 46.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 10.0 110.518 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -108.56 169.38 8.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.101 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' HG3' ' C' ' 467' ' ' MET . 68.3 mt -72.75 -11.18 60.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -3.24 58.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.054 0.454 . . . . 10.0 110.668 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.06 22.04 58.09 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -101.32 130.71 47.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.397 -0.223 . . . . 10.0 110.397 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -104.13 127.39 51.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.798 0.333 . . . . 10.0 110.801 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.04 129.14 72.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.194 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.26 129.92 48.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.615 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mt -133.97 142.7 47.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 10.0 111.749 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.33 108.49 20.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.615 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 m -136.69 162.18 35.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.873 0.368 . . . . 10.0 110.762 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -111.49 155.06 43.51 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 38.5 Cg_exo -56.12 -27.99 67.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.329 2.019 . . . . 10.0 112.739 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -1.14 32.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.578 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -83.1 138.4 33.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 10.0 110.196 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.01 146.68 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.217 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -55.88 -36.49 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.32 -41.26 84.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.738 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.68 -37.41 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.686 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 30' ' ' ILE . 63.3 t -60.44 -42.23 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.832 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.33 -34.75 78.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.355 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.92 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.289 0.566 . . . . 10.0 109.938 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.06 -33.49 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.965 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.6 mt -71.56 -35.2 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.65 -32.03 70.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.817 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.53 -14.65 60.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.657 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -104.44 -53.32 2.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 10.0 112.107 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -93.94 -21.6 19.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.86 77.77 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.568 -0.825 . . . . 10.0 112.762 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.46 123.31 71.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 122.761 -0.258 . . . . 10.0 110.804 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 47.8 Cg_exo -56.09 143.22 84.55 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.91 2.407 . . . . 10.0 112.567 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.2 Cg_exo -62.82 -19.24 68.07 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.931 2.421 . . . . 10.0 113.146 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -73.77 -26.98 60.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 10.0 110.535 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -96.6 -6.81 35.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.628 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -85.93 101.62 13.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.873 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 27.3 mtp180 -102.39 99.31 9.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 10.0 108.698 177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.19 122.87 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.118 0.485 . . . . 10.0 111.343 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.83 139.64 47.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.54 113.42 13.64 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.42 18.8 11.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.769 -0.65 . . . . 10.0 112.037 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.91 -5.94 43.24 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.585 -0.817 . . . . 10.0 113.631 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -116.17 147.32 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.988 0.394 . . . . 10.0 110.666 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.73 144.04 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.849 0.357 . . . . 10.0 111.506 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.3 mt -91.27 120.39 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.623 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.9 mt-10 -73.56 138.56 45.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.903 0.383 . . . . 10.0 111.172 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.04 -36.18 74.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.578 -0.737 . . . . 10.0 112.59 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.83 12.18 43.39 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.9 -0.667 . . . . 10.0 113.75 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 15.4 mmt-85 -116.34 166.82 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.482 0.641 . . . . 10.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 p -109.96 173.39 6.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.952 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 59.5 mt -65.66 -33.87 76.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.949 0.404 . . . . 10.0 111.003 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -16.9 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 10.0 112.042 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.5 -24.4 61.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 10.0 110.817 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.21 10.77 20.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.244 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 t30 59.73 33.44 21.82 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -73.41 110.31 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.16 -174.98 3.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.452 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -71.79 153.97 41.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.1 24.69 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.206 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.7 m -91.11 147.49 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.8 m -92.17 128.27 37.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.072 0.463 . . . . 10.0 111.437 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.9 124.53 50.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.675 -0.861 . . . . 10.0 108.675 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.45 117.07 25.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.728 0.299 . . . . 10.0 110.615 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.6 tp -103.57 104.52 14.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 10.0 110.522 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 72.6 t -93.07 127.14 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.18 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.4 mt -89.55 119.42 29.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -96.66 148.04 23.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.492 -179.675 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -121.19 160.85 22.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 74' ' ' ARG . 13.2 mmt85 -116.89 12.33 14.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.569 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.6 146.57 10.76 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.157 -0.777 . . . . 10.0 111.157 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.106 -1.385 . . . . 10.0 111.723 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.531 0.205 . . . . 10.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.414 ' OD1' HD12 ' C' ' 457' ' ' LEU . 94.9 m-20 59.81 29.73 19.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.797 0.439 . . . . 10.0 110.624 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -55.41 28.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.571 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.6 -34.11 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.049 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' C' ' 454' ' ' ASN . 56.5 mt -65.43 -35.18 80.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.487 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.13 -43.48 95.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.294 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.18 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.304 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 36.1 mtt -63.99 -45.26 89.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.741 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.66 88.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.79 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -62.29 -36.15 81.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.12 -37.17 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.938 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.29 -37.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.044 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -60.53 -27.97 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.815 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -82.06 -23.83 35.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.745 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.427 ' HG3' HD23 ' A' ' 8' ' ' LEU . 84.9 mmm -89.25 -42.31 11.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.906 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.95 90.58 28.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.601 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -81.05 36.83 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.632 2.221 . . . . 10.0 112.766 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.66 14.58 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 10.5 p -121.56 131.77 24.37 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.611 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.43 ' O ' HG23 ' C' ' 476' ' ' VAL . 32.4 Cg_exo -60.4 126.18 19.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.506 2.137 . . . . 10.0 111.905 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -52.88 -38.91 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.699 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -66.39 -30.87 71.34 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.254 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.416 HD12 ' HG2' ' C' ' 472' ' ' PRO . 22.3 mt -76.71 -30.74 56.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.312 . . . . 10.0 110.332 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.43 HG23 ' O ' ' C' ' 472' ' ' PRO . 31.9 t -66.79 -43.49 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.24 -28.1 69.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.8 -53.09 56.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.642 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.468 ' HB3' HG23 ' C' ' 489' ' ' THR . 10.5 t70 -68.04 -31.77 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.566 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.412 HD12 HD22 ' C' ' 457' ' ' LEU . 0.4 OUTLIER -61.05 -23.71 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.72 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -94.73 -8.05 38.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.19 0.519 . . . . 10.0 110.662 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.66 -56.23 2.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.828 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.4 p -90.61 -35.43 15.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.847 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 61.7 38.77 14.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.824 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 13.6 t -153.14 115.46 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.774 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 5.1 m -53.99 -38.28 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.3 -54.44 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.896 0.379 . . . . 10.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.8 -37.25 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.084 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.523 ' O ' HG13 ' C' ' 493' ' ' ILE . 81.6 m -63.79 -57.95 8.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.832 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 2.9 m -59.17 -37.35 77.15 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.791 0.329 . . . . 10.0 111.209 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.587 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 21.7 t70 -65.49 -45.45 83.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.48 . . . . 10.0 110.288 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.16 -32.68 72.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 489' ' ' THR . 69.1 mt -60.57 -43.12 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 10.0 109.938 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.04 -20.89 63.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.073 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -83.37 -21.14 33.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.003 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.4 10.35 22.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.9 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.73 -51.28 63.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.177 0.513 . . . . 10.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.453 HD13 HG12 ' C' ' 493' ' ' ILE . 3.4 mp -95.11 122.81 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.173 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.12 135.84 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.312 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 8.9 m -86.36 155.86 56.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.62 104.24 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.41 2.074 . . . . 10.0 111.748 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.14 136.96 20.44 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.925 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -66.97 101.61 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.432 2.088 . . . . 10.0 111.78 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.255 -0.878 . . . . 10.0 110.124 -179.711 . . . . . . . . 0 0 . 1 stop_ save_